diff --git a/RIKEN/MSBNK-RIKEN-PR020171.txt b/RIKEN/MSBNK-RIKEN-PR020171.txt index 013a1589c7..bbf3e90d98 100644 --- a/RIKEN/MSBNK-RIKEN-PR020171.txt +++ b/RIKEN/MSBNK-RIKEN-PR020171.txt @@ -12,7 +12,7 @@ CH$SMILES: CC1=CC(=O)CC(C1(/C=C/C(=C\C(=O)O)/C)O)(C)C CH$IUPAC: InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7- CH$LINK: CAS 14375-45-2 CH$LINK: PUBCHEM CID:5375199 -CH$LINK: INCHIKEY JLIDBLDQVAYHNE-LXGGSRJLSA-N +CH$LINK: INCHIKEY JLIDBLDQVAYHNE-LXGGSRJLSA-N CH$LINK: COMPTOX DTXSID1030604 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass AC$INSTRUMENT_TYPE: LC-ESI-QQ