6-Hydroxysandoricin

Properties Image MNX_ID MNXM118441 reference chebi:185400 formula C31H40O12 global charge 0 mol weight 604.649 InChIKey NKHYHRMLCJNKHW-UHFFFAOYSA-N InChI InChI=1S/C31H40O12/c1-14-18-11-21(41-16(3)33)30(7)25(17-9-10-39-13-17)42-27(37)24(35)31(14,30)43-20-12-19(40-15(2)32)28(4,5)23(29(18,20)6)22(34)26(36)38-8/h9-10,13,18-25,34-35H,1,11-12H2,2-8H3 SMILES C=C1C2CC(OC(C)=O)C3(C)C(C4=COC=C4)OC(=O)C(O)C13OC1CC(OC(C)=O)C(C)(C)C(C(O)C(=O)OC)C12C MNX internals InChI (mnx) InChI=1/C31H40O12/c1-14-18-11-21(41-16(3)33)30(7)25(17-9-10-39-13-17)42-27(37)24(35)31(14,30)43-20-12-19(40-15(2)32)28(4,5)23(29(18,20)6)22(34)26(36)38-8/h9-10,13,18-25,34-35H,1,11-12H2,2-8H3/t18?,19?,20?,21?,22?,23?,24?,25?,29?,30?,31? SMILES (mnx) [CH2:1]=[C:14]1[CH:18]2[CH2:11][CH:21]([O:41][C:16]([CH3:3])=[O:33])[C:30]3([CH3:7])[CH:25]([C:17]4=[CH:13][O:39][CH:10]=[CH:9]4)[O:42][C:27](=[O:37])[CH:24]([OH:35])[C:31]13[O:43][CH:20]1[CH2:12][CH:19]([O:40][C:15]([CH3:2])=[O:32])[C:28]([CH3:4])([CH3:5])[CH:23]([CH:22]([C:26](=[O:36])[O:38][CH3:8])[OH:34])[C:29]21[CH3:6]

Parent-child relations graph

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