Camellianin A

Properties Image MNX_ID MNXM120108 reference chebi:190868 formula C29H32O15 global charge 0 mol weight 620.56 InChIKey RHJULGLSOARXMO-YXRGHUGASA-N InChI InChI=1S/C29H32O15/c1-11-22(34)23(35)25(37)28(40-11)44-27-20(10-39-12(2)30)43-29(26(38)24(27)36)42-19-8-15(32)7-18-21(19)16(33)9-17(41-18)13-3-5-14(31)6-4-13/h3-9,11,20,22-29,31-32,34-38H,10H2,1-2H3/t11-,20+,22-,23+,24+,25+,26+,27+,28-,29+/m0/s1 SMILES CC(=O)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=C2C(=O)C=C(C2=CC=C(O)C=C2)O3)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C29H32O15/c1-11-22(34)23(35)25(37)28(40-11)44-27-20(10-39-12(2)30)43-29(26(38)24(27)36)42-19-8-15(32)7-18-21(19)16(33)9-17(41-18)13-3-5-14(31)6-4-13/h3-9,11,20,22-29,31-32,34-38H,10H2,1-2H3/t11-,20+,22-,23+,24+,25+,26+,27+,28-,29+/m0/s1 SMILES (mnx) [CH3:1][C@H:11]1[C@H:22]([OH:34])[C@@H:23]([OH:35])[C@@H:25]([OH:37])[C@H:28]([O:44][C@@H:27]2[C@@H:20]([CH2:10][O:39][C:12]([CH3:2])=[O:30])[O:43][C@@H:29]([O:42][C:19]3=[CH:8][C:15]([OH:32])=[CH:7][C:18]4=[C:21]3[C:16](=[O:33])[CH:9]=[C:17]([C:13]3=[CH:4][CH:6]=[C:14]([OH:31])[CH:5]=[CH:3]3)[O:41]4)[C@H:26]([OH:38])[C@H:24]2[OH:36])[O:40]1

Parent-child relations graph

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