(S)-rosmarinic acid

Properties Image MNX_ID MNXM31879 reference chebi:50372 formula C18H16O8 global charge 0 mol weight 360.318 InChIKey DOUMFZQKYFQNTF-GIZXNFQBSA-N InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m0/s1 SMILES O=C(/C=C/C1=CC=C(O)C(O)=C1)O[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m0/s1 SMILES (mnx) [CH:1]1=[CH:4][C:12]([OH:19])=[C:14]([OH:21])[CH:7]=[C:10]1/[CH:3]=[CH:6]/[C:17](=[O:23])[O:26][C@@H:16]([CH2:9][C:11]1=[CH:8][C:15]([OH:22])=[C:13]([OH:20])[CH:5]=[CH:2]1)[C:18](=[O:24])[OH:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0