Aromadendrin 3,7-diglucoside

Properties Image MNX_ID MNXM119350 reference chebi:191797 formula C27H32O16 global charge 0 mol weight 612.537 InChIKey LYZCSBKUDSHVOD-UHFFFAOYSA-N InChI InChI=1S/C27H32O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-33,35-38H,7-8H2 SMILES O=C1C2=C(C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O)OC(C2=CC=C(O)C=C2)C1OC1OC(CO)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C27H32O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-33,35-38H,7-8H2/t14?,15?,17?,18?,20?,21?,22?,23?,24?,25?,26?,27? SMILES (mnx) [CH:1]1=[CH:3][C:10]([OH:30])=[CH:4][CH:2]=[C:9]1[CH:24]1[CH:25]([O:43][CH:27]2[CH:23]([OH:38])[CH:21]([OH:36])[CH:18]([OH:33])[CH:15]([CH2:8][OH:29])[O:42]2)[C:19](=[O:34])[C:16]2=[C:12]([OH:31])[CH:5]=[C:11]([O:39][CH:26]3[CH:22]([OH:37])[CH:20]([OH:35])[CH:17]([OH:32])[CH:14]([CH2:7][OH:28])[O:41]3)[CH:6]=[C:13]2[O:40]1

Parent-child relations graph

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