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4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside]

Properties

Image

Occurences in reactions

MNX_ID

MNXM117802

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

formula

C₃₂H₃₂O₁₂

charge

mass

608.18938

reference

hmdb:HMDB0039313

InChIKey

AHLBWJHZDLMJOJ-SDNWHVSQSA-N

InChI

InChI=1S/C32H32O12/c1-18(33)7-8-20-9-12-22(13-10-20)42-32-30(44-31(40)21-15-23(34)27(37)24(35)16-21)29(39)28(38)25(43-32)17-41-26(36)14-11-19-5-3-2-4-6-19/h2-6,9-16,25,28-30,32,34-35,37-39H,7-8,17H2,1H3/b14-11+

SMILES

CC(=O)CCc1ccc(OC2OC(COC(=O)/C=C/c3ccccc3)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0039313	4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside] 1-(3,4-Dimethoxyphenyl)-2,3-propanediol 3-(3,4-Dimethoxyphenyl)-1,2-propanediol 4,5-Dihydroxy-2-[4-(3-oxobutyl)phenoxy]-6-({[(2E)-3-phenylprop-2-enoyl]oxy}methyl)oxan-3-yl 3,4,5-trihydroxybenzoic acid 4,5-dihydroxy-2-[4-(3-oxobutyl)phenoxy]-6-({[(2E)-3-phenylprop-2-enoyl]oxy}methyl)oxan-3-yl 3,4,5-trihydroxybenzoate Methyl eugenol glycol
hmdb:HMDB39313	secondary/obsolete/fantasy identifier