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Isoorientin 2''-acetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM58067

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

formula

C₂₃H₂₂O₁₂

charge

mass

490.11113

reference

lipidmapsM:LMPK12110477

InChIKey

LZCYTIIPENLJKB-QOUVSYAKSA-N

InChI

InChI=1S/C23H22O12/c1-8(25)33-23-21(32)19(30)16(7-24)35-22(23)18-13(29)6-15-17(20(18)31)12(28)5-14(34-15)9-2-3-10(26)11(27)4-9/h2-6,16,19,21-24,26-27,29-32H,7H2,1H3/t16?,19-,21+,22+,23?/m1/s1

SMILES

CC(=O)OC1[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)OC(CO)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMPK12110477 lipidmapsM:LMPK12110477	Isoorientin 2''-acetate 2''-O-Acetylisoorientin
hmdb:HMDB0038816	2''-O-Acetylisoorientin 2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetic acid 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate Isoorientin 2''-acetate
hmdb:HMDB38816	secondary/obsolete/fantasy identifier