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Mass change PubChem SID to CID
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@meier-rene
meier-rene committed Jan 31, 2025
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000341.txt
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Expand Up @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-
CH$LINK: CAS 58970-76-6
CH$LINK: KEGG C00732
CH$LINK: NIKKAJI J12.831G
CH$LINK: PUBCHEM SID:3996
CH$LINK: PUBCHEM CID:439299
CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000342.txt
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Expand Up @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-
CH$LINK: CAS 58970-76-6
CH$LINK: KEGG C00732
CH$LINK: NIKKAJI J12.831G
CH$LINK: PUBCHEM SID:3996
CH$LINK: PUBCHEM CID:439299
CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000343.txt
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Expand Up @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-
CH$LINK: CAS 58970-76-6
CH$LINK: KEGG C00732
CH$LINK: NIKKAJI J12.831G
CH$LINK: PUBCHEM SID:3996
CH$LINK: PUBCHEM CID:439299
CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000344.txt
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Expand Up @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-
CH$LINK: CAS 58970-76-6
CH$LINK: KEGG C00732
CH$LINK: NIKKAJI J12.831G
CH$LINK: PUBCHEM SID:3996
CH$LINK: PUBCHEM CID:439299
CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000345.txt
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Expand Up @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-
CH$LINK: CAS 58970-76-6
CH$LINK: KEGG C00732
CH$LINK: NIKKAJI J12.831G
CH$LINK: PUBCHEM SID:3996
CH$LINK: PUBCHEM CID:439299
CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000346.txt
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Expand Up @@ -14,7 +14,7 @@ CH$LINK: CAS 2079-00-7
CH$LINK: CHEBI CHEBI:15353
CH$LINK: KEGG C02010
CH$LINK: NIKKAJI J9.250I
CH$LINK: PUBCHEM SID:5106
CH$LINK: PUBCHEM CID:439625
CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000347.txt
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Expand Up @@ -14,7 +14,7 @@ CH$LINK: CAS 2079-00-7
CH$LINK: CHEBI CHEBI:15353
CH$LINK: KEGG C02010
CH$LINK: NIKKAJI J9.250I
CH$LINK: PUBCHEM SID:5106
CH$LINK: PUBCHEM CID:439625
CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000348.txt
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Expand Up @@ -14,7 +14,7 @@ CH$LINK: CAS 2079-00-7
CH$LINK: CHEBI CHEBI:15353
CH$LINK: KEGG C02010
CH$LINK: NIKKAJI J9.250I
CH$LINK: PUBCHEM SID:5106
CH$LINK: PUBCHEM CID:439625
CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000349.txt
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Expand Up @@ -14,7 +14,7 @@ CH$LINK: CAS 2079-00-7
CH$LINK: CHEBI CHEBI:15353
CH$LINK: KEGG C02010
CH$LINK: NIKKAJI J9.250I
CH$LINK: PUBCHEM SID:5106
CH$LINK: PUBCHEM CID:439625
CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000350.txt
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Expand Up @@ -14,7 +14,7 @@ CH$LINK: CAS 2079-00-7
CH$LINK: CHEBI CHEBI:15353
CH$LINK: KEGG C02010
CH$LINK: NIKKAJI J9.250I
CH$LINK: PUBCHEM SID:5106
CH$LINK: PUBCHEM CID:439625
CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000456.txt
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Expand Up @@ -14,7 +14,7 @@ CH$LINK: CAS 56-75-7
CH$LINK: CHEBI CHEBI:17698
CH$LINK: KEGG C00918
CH$LINK: NIKKAJI J2.802I
CH$LINK: PUBCHEM SID:4172
CH$LINK: PUBCHEM CID:5959
CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N
CH$LINK: COMPTOX DTXSID40158453
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000457.txt
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Expand Up @@ -14,7 +14,7 @@ CH$LINK: CAS 56-75-7
CH$LINK: CHEBI CHEBI:17698
CH$LINK: KEGG C00918
CH$LINK: NIKKAJI J2.802I
CH$LINK: PUBCHEM SID:4172
CH$LINK: PUBCHEM CID:5959
CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N
CH$LINK: COMPTOX DTXSID40158453
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000458.txt
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Expand Up @@ -14,7 +14,7 @@ CH$LINK: CAS 56-75-7
CH$LINK: CHEBI CHEBI:17698
CH$LINK: KEGG C00918
CH$LINK: NIKKAJI J2.802I
CH$LINK: PUBCHEM SID:4172
CH$LINK: PUBCHEM CID:5959
CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N
CH$LINK: COMPTOX DTXSID40158453
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000459.txt
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Expand Up @@ -14,7 +14,7 @@ CH$LINK: CAS 56-75-7
CH$LINK: CHEBI CHEBI:17698
CH$LINK: KEGG C00918
CH$LINK: NIKKAJI J2.802I
CH$LINK: PUBCHEM SID:4172
CH$LINK: PUBCHEM CID:5959
CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N
CH$LINK: COMPTOX DTXSID40158453
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000460.txt
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Expand Up @@ -14,7 +14,7 @@ CH$LINK: CAS 56-75-7
CH$LINK: CHEBI CHEBI:17698
CH$LINK: KEGG C00918
CH$LINK: NIKKAJI J2.802I
CH$LINK: PUBCHEM SID:4172
CH$LINK: PUBCHEM CID:5959
CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N
CH$LINK: COMPTOX DTXSID40158453
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000634.txt
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Expand Up @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9
CH$LINK: CAS 23214-92-8
CH$LINK: KEGG C01661
CH$LINK: NIKKAJI J3.792C
CH$LINK: PUBCHEM SID:4809
CH$LINK: PUBCHEM CID:31703
CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000635.txt
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Expand Up @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9
CH$LINK: CAS 23214-92-8
CH$LINK: KEGG C01661
CH$LINK: NIKKAJI J3.792C
CH$LINK: PUBCHEM SID:4809
CH$LINK: PUBCHEM CID:31703
CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000636.txt
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Expand Up @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9
CH$LINK: CAS 23214-92-8
CH$LINK: KEGG C01661
CH$LINK: NIKKAJI J3.792C
CH$LINK: PUBCHEM SID:4809
CH$LINK: PUBCHEM CID:31703
CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000637.txt
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Expand Up @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9
CH$LINK: CAS 23214-92-8
CH$LINK: KEGG C01661
CH$LINK: NIKKAJI J3.792C
CH$LINK: PUBCHEM SID:4809
CH$LINK: PUBCHEM CID:31703
CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000638.txt
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Expand Up @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9
CH$LINK: CAS 23214-92-8
CH$LINK: KEGG C01661
CH$LINK: NIKKAJI J3.792C
CH$LINK: PUBCHEM SID:4809
CH$LINK: PUBCHEM CID:31703
CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000714.txt
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Expand Up @@ -11,7 +11,7 @@ CH$EXACT_MASS: 142.07423
CH$SMILES: CC(N1)=NC(CC1)C(O)=O
CH$IUPAC: InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)
CH$LINK: KEGG C06231
CH$LINK: PUBCHEM SID:8474
CH$LINK: PUBCHEM CID:126041
CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50869280
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000715.txt
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Expand Up @@ -11,7 +11,7 @@ CH$EXACT_MASS: 142.07423
CH$SMILES: CC(N1)=NC(CC1)C(O)=O
CH$IUPAC: InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)
CH$LINK: KEGG C06231
CH$LINK: PUBCHEM SID:8474
CH$LINK: PUBCHEM CID:126041
CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50869280
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000716.txt
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Expand Up @@ -11,7 +11,7 @@ CH$EXACT_MASS: 142.07423
CH$SMILES: CC(N1)=NC(CC1)C(O)=O
CH$IUPAC: InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)
CH$LINK: KEGG C06231
CH$LINK: PUBCHEM SID:8474
CH$LINK: PUBCHEM CID:126041
CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50869280
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000717.txt
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Expand Up @@ -11,7 +11,7 @@ CH$EXACT_MASS: 142.07423
CH$SMILES: CC(N1)=NC(CC1)C(O)=O
CH$IUPAC: InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)
CH$LINK: KEGG C06231
CH$LINK: PUBCHEM SID:8474
CH$LINK: PUBCHEM CID:126041
CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50869280
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000718.txt
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Expand Up @@ -11,7 +11,7 @@ CH$EXACT_MASS: 142.07423
CH$SMILES: CC(N1)=NC(CC1)C(O)=O
CH$IUPAC: InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)
CH$LINK: KEGG C06231
CH$LINK: PUBCHEM SID:8474
CH$LINK: PUBCHEM CID:126041
CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50869280
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000724.txt
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Expand Up @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:30270
CH$LINK: CHEMPDB E64
CH$LINK: KEGG C01341
CH$LINK: NIKKAJI J22.188K
CH$LINK: PUBCHEM SID:4546
CH$LINK: PUBCHEM CID:123985
CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000725.txt
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Expand Up @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:30270
CH$LINK: CHEMPDB E64
CH$LINK: KEGG C01341
CH$LINK: NIKKAJI J22.188K
CH$LINK: PUBCHEM SID:4546
CH$LINK: PUBCHEM CID:123985
CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000726.txt
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Expand Up @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:30270
CH$LINK: CHEMPDB E64
CH$LINK: KEGG C01341
CH$LINK: NIKKAJI J22.188K
CH$LINK: PUBCHEM SID:4546
CH$LINK: PUBCHEM CID:123985
CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000727.txt
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Expand Up @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:30270
CH$LINK: CHEMPDB E64
CH$LINK: KEGG C01341
CH$LINK: NIKKAJI J22.188K
CH$LINK: PUBCHEM SID:4546
CH$LINK: PUBCHEM CID:123985
CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000728.txt
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Expand Up @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:30270
CH$LINK: CHEMPDB E64
CH$LINK: KEGG C01341
CH$LINK: NIKKAJI J22.188K
CH$LINK: PUBCHEM SID:4546
CH$LINK: PUBCHEM CID:123985
CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000744.txt
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Expand Up @@ -17,7 +17,7 @@ CH$LINK: CAS 643-13-0
CH$LINK: CHEBI CHEBI:15946
CH$LINK: KEGG C00085
CH$LINK: NIKKAJI J92.807K
CH$LINK: PUBCHEM SID:3385
CH$LINK: PUBCHEM CID:439160
CH$LINK: INCHIKEY GSXOAOHZAIYLCY-HSUXUTPPSA-N
CH$LINK: COMPTOX DTXSID80904350
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000749.txt
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Expand Up @@ -15,7 +15,7 @@ CH$LINK: CAS 488-69-7
CH$LINK: CHEBI CHEBI:16905
CH$LINK: KEGG C00354
CH$LINK: NIKKAJI J15.941G
CH$LINK: PUBCHEM SID:3647
CH$LINK: PUBCHEM CID:172313
CH$LINK: INCHIKEY XPYBSIWDXQFNMH-UYFOZJQFSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000754.txt
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Expand Up @@ -15,7 +15,7 @@ CH$LINK: CAS 15978-08-2
CH$LINK: CHEBI CHEBI:18105
CH$LINK: KEGG C01094
CH$LINK: NIKKAJI J219.923H
CH$LINK: PUBCHEM SID:4329
CH$LINK: PUBCHEM CID:439394
CH$LINK: INCHIKEY ZKLLSNQJRLJIGT-UYFOZJQFSA-N
CH$LINK: COMPTOX DTXSID20891553
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000883.txt
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Expand Up @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h
CH$LINK: CAS 3929-61-1
CH$LINK: KEGG C01425
CH$LINK: NIKKAJI J364.668H
CH$LINK: PUBCHEM SID:4610
CH$LINK: PUBCHEM CID:439500
CH$LINK: INCHIKEY KOSRFJWDECSPRO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70960026
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000898.txt
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Expand Up @@ -17,7 +17,7 @@ CH$LINK: CAS 1405-86-3
CH$LINK: CHEBI CHEBI:29807
CH$LINK: KEGG C02284
CH$LINK: NIKKAJI J1.238F
CH$LINK: PUBCHEM SID:5341
CH$LINK: PUBCHEM CID:128229
CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N
CH$LINK: COMPTOX DTXSID8047006
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000899.txt
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Expand Up @@ -17,7 +17,7 @@ CH$LINK: CAS 1405-86-3
CH$LINK: CHEBI CHEBI:29807
CH$LINK: KEGG C02284
CH$LINK: NIKKAJI J1.238F
CH$LINK: PUBCHEM SID:5341
CH$LINK: PUBCHEM CID:128229
CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N
CH$LINK: COMPTOX DTXSID8047006
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000900.txt
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Expand Up @@ -17,7 +17,7 @@ CH$LINK: CAS 1405-86-3
CH$LINK: CHEBI CHEBI:29807
CH$LINK: KEGG C02284
CH$LINK: NIKKAJI J1.238F
CH$LINK: PUBCHEM SID:5341
CH$LINK: PUBCHEM CID:128229
CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N
CH$LINK: COMPTOX DTXSID8047006
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000901.txt
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Expand Up @@ -17,7 +17,7 @@ CH$LINK: CAS 1405-86-3
CH$LINK: CHEBI CHEBI:29807
CH$LINK: KEGG C02284
CH$LINK: NIKKAJI J1.238F
CH$LINK: PUBCHEM SID:5341
CH$LINK: PUBCHEM CID:128229
CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N
CH$LINK: COMPTOX DTXSID8047006
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000902.txt
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Expand Up @@ -17,7 +17,7 @@ CH$LINK: CAS 1405-86-3
CH$LINK: CHEBI CHEBI:29807
CH$LINK: KEGG C02284
CH$LINK: NIKKAJI J1.238F
CH$LINK: PUBCHEM SID:5341
CH$LINK: PUBCHEM CID:128229
CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N
CH$LINK: COMPTOX DTXSID8047006
AC$INSTRUMENT: API3000, Applied Biosystems
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000908.txt
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Expand Up @@ -14,7 +14,7 @@ CH$EXACT_MASS: 325.10090
CH$SMILES: OCC(=O)N[C@H]([C@@H](O)1)[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(O)=O)C1
CH$IUPAC: InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
CH$LINK: KEGG C03410
CH$LINK: PUBCHEM SID:6239
CH$LINK: PUBCHEM CID:440001
CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000909.txt
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Expand Up @@ -14,7 +14,7 @@ CH$EXACT_MASS: 325.10090
CH$SMILES: OCC(=O)N[C@H]([C@@H](O)1)[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(O)=O)C1
CH$IUPAC: InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
CH$LINK: KEGG C03410
CH$LINK: PUBCHEM SID:6239
CH$LINK: PUBCHEM CID:440001
CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000910.txt
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Expand Up @@ -14,7 +14,7 @@ CH$EXACT_MASS: 325.10090
CH$SMILES: OCC(=O)N[C@H]([C@@H](O)1)[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(O)=O)C1
CH$IUPAC: InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
CH$LINK: KEGG C03410
CH$LINK: PUBCHEM SID:6239
CH$LINK: PUBCHEM CID:440001
CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000911.txt
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Expand Up @@ -14,7 +14,7 @@ CH$EXACT_MASS: 325.10090
CH$SMILES: OCC(=O)N[C@H]([C@@H](O)1)[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(O)=O)C1
CH$IUPAC: InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
CH$LINK: KEGG C03410
CH$LINK: PUBCHEM SID:6239
CH$LINK: PUBCHEM CID:440001
CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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2 changes: 1 addition & 1 deletion Keio_Univ/MSBNK-Keio_Univ-KO000912.txt
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Expand Up @@ -14,7 +14,7 @@ CH$EXACT_MASS: 325.10090
CH$SMILES: OCC(=O)N[C@H]([C@@H](O)1)[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(O)=O)C1
CH$IUPAC: InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
CH$LINK: KEGG C03410
CH$LINK: PUBCHEM SID:6239
CH$LINK: PUBCHEM CID:440001
CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
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