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Orientin 2'',6''-diacetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM65795

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

formula

C₂₅H₂₄O₁₃

charge

mass

532.12169

reference

lipidmapsM:LMPK12110479

InChIKey

IOPSQVHEVILLRN-UXRUBMLZSA-N

InChI

InChI=1S/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3/t18-,21+,22?,24-,25?/m0/s1

SMILES

CC(=O)OC[C@@H]1O[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)C(OC(C)=O)C(O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMPK12110479 lipidmapsM:LMPK12110479	Orientin 2'',6''-diacetate
hmdb:HMDB0038777	2'',6''-Diacetylorientin Orientin 2'',6''-diacetate [5-(Acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetic acid [5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate [5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate
hmdb:HMDB38777	secondary/obsolete/fantasy identifier