Isomelitric acid A

Properties Image MNX_ID MNXM126892 reference chebi:191825 formula C27H22O12 global charge 0 mol weight 538.461 InChIKey HFTLCJIFEZUOCR-JKXXRSRDSA-N InChI InChI=1S/C27H22O12/c28-17-5-2-15(9-20(17)31)12-23(26(34)35)38-22-11-14(1-7-19(22)30)4-8-25(33)39-24(27(36)37)13-16-3-6-18(29)21(32)10-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12- SMILES O=C(/C=C/C1=CC(O/C(=C\C2=CC(O)=C(O)C=C2)C(=O)O)=C(O)C=C1)OC(CC1=CC(O)=C(O)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C27H22O12/c28-17-5-2-15(9-20(17)31)12-23(26(34)35)38-22-11-14(1-7-19(22)30)4-8-25(33)39-24(27(36)37)13-16-3-6-18(29)21(32)10-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-/t24? SMILES (mnx) [CH:1]1=[CH:7][C:19]([OH:30])=[C:22]([O:38]/[C:23](=[CH:12]\[C:15]2=[CH:9][C:20]([OH:31])=[C:17]([OH:28])[CH:5]=[CH:2]2)[C:26](=[O:34])[OH:35])[CH:11]=[C:14]1/[CH:4]=[CH:8]/[C:25](=[O:33])[O:39][CH:24]([CH2:13][C:16]1=[CH:10][C:21]([OH:32])=[C:18]([OH:29])[CH:6]=[CH:3]1)[C:27](=[O:36])[OH:37]

Parent-child relations graph

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