5'-Methoxycastavinol

Properties Image MNX_ID MNXM118065 reference chebi:191480 formula C27H32O14 global charge 0 mol weight 580.539 InChIKey DHJQGIFMZKHMDS-GMNBUVNWSA-N InChI InChI=1S/C27H32O14/c1-10(29)26(2)19-18-13(31)7-12(30)8-14(18)40-27(41-26,11-5-15(36-3)20(32)16(6-11)37-4)24(19)39-25-23(35)22(34)21(33)17(9-28)38-25/h5-8,17,19,21-25,28,30-35H,9H2,1-4H3/t17-,19+,21-,22+,23-,24-,25+,26?,27+/m1/s1 SMILES COC1=CC([C@@]23OC4=C(C(O)=CC(O)=C4)[C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C(C)=O)O3)=CC(OC)=C1O MNX internals InChI (mnx) InChI=1/C27H32O14/c1-10(29)26(2)19-18-13(31)7-12(30)8-14(18)40-27(41-26,11-5-15(36-3)20(32)16(6-11)37-4)24(19)39-25-23(35)22(34)21(33)17(9-28)38-25/h5-8,17,19,21-25,28,30-35H,9H2,1-4H3/t17-,19+,21-,22+,23-,24-,25+,26?,27+/m1/s1 SMILES (mnx) [CH3:1][C:10]([C:26]1([CH3:2])[C@H:19]2[C:18]3=[C:13]([OH:31])[CH:7]=[C:12]([OH:30])[CH:8]=[C:14]3[O:40][C@:27]([C:11]3=[CH:5][C:15]([O:36][CH3:3])=[C:20]([OH:32])[C:16]([O:37][CH3:4])=[CH:6]3)([C@@H:24]2[O:39][C@H:25]2[C@H:23]([OH:35])[C@@H:22]([OH:34])[C@H:21]([OH:33])[C@@H:17]([CH2:9][OH:28])[O:38]2)[O:41]1)=[O:29]

Parent-child relations graph

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