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sesaminol 2-O-beta-D-gentiobioside

Properties

Image

Occurences in reactions

MNX_ID

MNXM114387

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₃₂H₃₈O₁₇

charge

mass

694.2109

reference

chebi:145785

InChIKey

YIGQNWGFLQZODP-SFMWUWOUSA-N

InChI

InChI=1S/C32H38O17/c33-6-21-23(34)25(36)27(38)31(48-21)42-9-22-24(35)26(37)28(39)32(49-22)47-17-5-20-19(45-11-46-20)4-13(17)30-15-8-40-29(14(15)7-41-30)12-1-2-16-18(3-12)44-10-43-16/h1-5,14-15,21-39H,6-11H2/t14-,15-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1

SMILES

OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(cc3[C@H]3OC[C@@H]5[C@@H](c6ccc7c(c6)OCO7)OC[C@H]35)OCO4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:145785 chebi:145785	sesaminol 2-O-beta-D-gentiobioside (+)-sesaminol 2-O-beta-D-gentiobioside (+)-sesaminol 2-O-beta-D-glucosyl (1->6)-O-beta-D-glucoside 6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
metacyc.compound:CPD-14839 metacycM:CPD-14839 seed.compound:cpd34259 seedM:cpd34259	(+)-sesaminol 2-O-beta-D-gentiobioside (+)-sesaminol 2-O-beta-D-glucosyl (1->6)-O-beta-D-glucoside
seedM:M_cpd34259	secondary/obsolete/fantasy identifier