Myricanol 5-laminaribioside

Properties Image MNX_ID MNXM128276 reference chebi:172799 formula C33H46O15 global charge 0 mol weight 682.716 InChIKey XMKXFSLOVIEGBT-UHFFFAOYSA-N InChI InChI=1S/C33H46O15/c1-43-29-19-12-16(5-3-4-6-17(36)9-7-15-8-10-20(37)18(19)11-15)28(31(29)44-2)47-33-27(42)30(24(39)22(14-35)46-33)48-32-26(41)25(40)23(38)21(13-34)45-32/h8,10-12,17,21-27,30,32-42H,3-7,9,13-14H2,1-2H3 SMILES COC1=C(OC)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)=C2C=C1C1=CC(=CC=C1O)CCC(O)CCCC2 MNX internals InChI (mnx) InChI=1/C33H46O15/c1-43-29-19-12-16(5-3-4-6-17(36)9-7-15-8-10-20(37)18(19)11-15)28(31(29)44-2)47-33-27(42)30(24(39)22(14-35)46-33)48-32-26(41)25(40)23(38)21(13-34)45-32/h8,10-12,17,21-27,30,32-42H,3-7,9,13-14H2,1-2H3/t17?,21?,22?,23?,24?,25?,26?,27?,30?,32?,33? SMILES (mnx) [CH3:1][O:43][C:29]1=[C:31]([O:44][CH3:2])[C:28]([O:47][CH:33]2[CH:27]([OH:42])[CH:30]([O:48][CH:32]3[CH:26]([OH:41])[CH:25]([OH:40])[CH:23]([OH:38])[CH:21]([CH2:13][OH:34])[O:45]3)[CH:24]([OH:39])[CH:22]([CH2:14][OH:35])[O:46]2)=[C:16]2[CH2:5][CH2:3][CH2:4][CH2:6][CH:17]([OH:36])[CH2:9][CH2:7][C:15]3=[CH:8][CH:10]=[C:20]([OH:37])[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