chamaejasmenin A

Properties Image MNX_ID MNXM103711 reference chebi:65614 formula C32H26O10 global charge 0 mol weight 570.55 InChIKey BTCICADMSGBCKA-COWFKMKXSA-N InChI InChI=1S/C32H26O10/c1-39-19-7-3-15(4-8-19)31-27(29(37)25-21(35)11-17(33)13-23(25)41-31)28-30(38)26-22(36)12-18(34)14-24(26)42-32(28)16-5-9-20(40-2)10-6-16/h3-14,27-28,31-36H,1-2H3/t27-,28+,31+,32- SMILES COC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C(=O)[C@@H]2[C@@H]2C(=O)C3=C(C=C(O)C=C3O)O[C@H]2C2=CC=C(OC)C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C32H26O10/c1-39-19-7-3-15(4-8-19)31-27(29(37)25-21(35)11-17(33)13-23(25)41-31)28-30(38)26-22(36)12-18(34)14-24(26)42-32(28)16-5-9-20(40-2)10-6-16/h3-14,27-28,31-36H,1-2H3/t27-,28+,31+,32- SMILES (mnx) [CH3:1][O:39][C:19]1=[CH:8][CH:4]=[C:15]([C@@H:31]2[C@@H:27]([C@@H:28]3[C:30](=[O:38])[C:26]4=[C:22]([OH:36])[CH:12]=[C:18]([OH:34])[CH:14]=[C:24]4[O:42][C@H:32]3[C:16]3=[CH:6][CH:10]=[C:20]([O:40][CH3:2])[CH:9]=[CH:5]3)[C:29](=[O:37])[C:25]3=[C:21]([OH:35])[CH:11]=[C:17]([OH:33])[CH:13]=[C:23]3[O:41]2)[CH:3]=[CH:7]1

Parent-child relations graph

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