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glycitein 7-O-beta-D-(2'',4'',6''-O-triacetyl)glucopyranoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM116224

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

formula

C₂₈H₂₈O₁₃

charge

mass

572.15299

reference

chebi:85132

InChIKey

AAOWDCXVOOKARC-BYUBTRPSSA-N

InChI

InChI=1S/C28H28O13/c1-13(29)36-12-23-26(38-14(2)30)25(34)27(39-15(3)31)28(41-23)40-22-10-20-18(9-21(22)35-4)24(33)19(11-37-20)16-5-7-17(32)8-6-16/h5-11,23,25-28,32,34H,12H2,1-4H3/t23-,25+,26-,27-,28-/m1/s1

SMILES

COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85132 chebi:85132	glycitein 7-O-beta-D-(2'',4'',6''-O-triacetyl)glucopyranoside 3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl 2,4,6-tri-O-acetyl-beta-D-glucopyranoside
hmdb:HMDB0034694	2'',4'',6''-Triacetylglycitin [3,5-Bis(acetyloxy)-4-hydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetic acid [3,5-bis(acetyloxy)-4-hydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetate [3,5-bis(acetyloxy)-4-hydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl acetate
hmdb:HMDB34694	secondary/obsolete/fantasy identifier