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2'',3'',6''-Tris-O-(3,4,5-trihydroxybenzoyl)-3'-Glucosyl-2',4',6'-trihydroxyacetophenone

Properties

Image

Occurences in reactions

MNX_ID

MNXM116223

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

formula

C₃₅H₃₀O₂₁

charge

mass

786.12796

reference

hmdb:HMDB0040626

InChIKey

AAXKOSGKHIOTGK-UHFFFAOYSA-N

InChI

InChI=1S/C35H30O21/c1-10(36)23-14(37)8-15(38)24(29(23)49)30-32(56-35(52)13-6-20(43)27(47)21(44)7-13)31(55-34(51)12-4-18(41)26(46)19(42)5-12)28(48)22(54-30)9-53-33(50)11-2-16(39)25(45)17(40)3-11/h2-8,22,28,30-32,37-49H,9H2,1H3

SMILES

CC(=O)c1c(O)cc(O)c(C2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(OC(=O)c3cc(O)c(O)c(O)c3)C2OC(=O)c2cc(O)c(O)c(O)c2)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0040626	2'',3'',6''-Tris-O-(3,4,5-trihydroxybenzoyl)-3'-Glucosyl-2',4',6'-trihydroxyacetophenone [6-(3-Acetyl-2,4,6-trihydroxyphenyl)-3-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid [6-(3-acetyl-2,4,6-trihydroxyphenyl)-3-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
hmdb:HMDB40626	secondary/obsolete/fantasy identifier