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genistin 7-O-gentiobioside

Properties

Image

Occurences in reactions

MNX_ID

MNXM114677

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₇H₃₀O₁₅

charge

mass

594.15847

reference

chebi:145776

InChIKey

YKBIHKIVJICDCU-UMUUNPGWSA-N

InChI

InChI=1S/C27H30O15/c28-7-16-20(32)22(34)24(36)26(41-16)39-9-17-21(33)23(35)25(37)27(42-17)40-12-5-14(30)18-15(6-12)38-8-13(19(18)31)10-1-3-11(29)4-2-10/h1-6,8,16-17,20-30,32-37H,7,9H2/t16-,17-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1

SMILES

O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:145776 chebi:145776	genistin 7-O-gentiobioside 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside genistein 7-O-gentiobioside genistein 7-gentiobioside genistein-7-O-gentiobioside genistin 7-gentiobioside
seed.compound:cpd32716 seedM:cpd32716	genistein 7-O-gentiobioside genistin 7-O-gentiobioside genistin 7-gentiobioside
metacyc.compound:CPD-14848 metacycM:CPD-14848	genistin 7-gentiobioside genistein 7-O-gentiobioside genistin 7-O-gentiobioside
seedM:M_cpd32716	secondary/obsolete/fantasy identifier