3-O-Methylrosmarinic acid

Properties Image MNX_ID MNXM117586 reference chebi:175805 formula C19H18O8 global charge 0 mol weight 374.345 InChIKey NFSDQICEPLDULQ-QPJJXVBHSA-N InChI InChI=1S/C19H18O8/c1-26-16-9-12(3-6-14(16)21)10-17(19(24)25)27-18(23)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-22H,10H2,1H3,(H,24,25)/b7-4+ SMILES COC1=C(O)C=CC(CC(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)C(=O)O)=C1 MNX internals InChI (mnx) InChI=1/C19H18O8/c1-26-16-9-12(3-6-14(16)21)10-17(19(24)25)27-18(23)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-22H,10H2,1H3,(H,24,25)/b7-4+/t17? SMILES (mnx) [CH3:1][O:26][C:16]1=[C:14]([OH:21])[CH:6]=[CH:3][C:12]([CH2:10][CH:17]([C:19](=[O:24])[OH:25])[O:27][C:18](/[CH:7]=[CH:4]/[C:11]2=[CH:8][C:15]([OH:22])=[C:13]([OH:20])[CH:5]=[CH:2]2)=[O:23])=[CH:9]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0