Myricanol 5-beta-sophoroside

Properties Image MNX_ID MNXM128274 reference chebi:168407 formula C33H46O15 global charge 0 mol weight 682.716 InChIKey MWHPGFTUVBRCFT-UHFFFAOYSA-N InChI InChI=1S/C33H46O15/c1-43-30-19-12-16(5-3-4-6-17(35)9-7-15-8-10-20(36)18(19)11-15)29(31(30)44-2)48-33-28(42)26(40)24(38)22(47-33)14-45-32-27(41)25(39)23(37)21(13-34)46-32/h8,10-12,17,21-28,32-42H,3-7,9,13-14H2,1-2H3 SMILES COC1=C(OC)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C2C=C1C1=CC(=CC=C1O)CCC(O)CCCC2 MNX internals InChI (mnx) InChI=1/C33H46O15/c1-43-30-19-12-16(5-3-4-6-17(35)9-7-15-8-10-20(36)18(19)11-15)29(31(30)44-2)48-33-28(42)26(40)24(38)22(47-33)14-45-32-27(41)25(39)23(37)21(13-34)46-32/h8,10-12,17,21-28,32-42H,3-7,9,13-14H2,1-2H3/t17?,21?,22?,23?,24?,25?,26?,27?,28?,32?,33? SMILES (mnx) [CH3:1][O:43][C:30]1=[C:31]([O:44][CH3:2])[C:29]([O:48][CH:33]2[CH:28]([OH:42])[CH:26]([OH:40])[CH:24]([OH:38])[CH:22]([CH2:14][O:45][CH:32]3[CH:27]([OH:41])[CH:25]([OH:39])[CH:23]([OH:37])[CH:21]([CH2:13][OH:34])[O:46]3)[O:47]2)=[C:16]2[CH2:5][CH2:3][CH2:4][CH2:6][CH:17]([OH:35])[CH2:9][CH2:7][C:15]3=[CH:8][CH:10]=[C:20]([OH:36])[C:18](=[CH:11]3)[C:19]1=[CH:12]2

Parent-child relations graph

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