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Quercetagitrin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1375759

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₁H₂₀O₁₃

charge

mass

480.378

reference

chebi:191744

InChIKey

IDTDRZPBDLMCLB-HSOQPIRZSA-N

InChI

InChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2/t11-,14-,17+,19-,21-/m1/s1

SMILES

[cH:1]1[cH:2][c:7]([OH:23])[c:8]([OH:24])[cH:3][c:6]1-[c:20]1[c:18]([OH:30])[c:16](=[O:28])[c:12]2[c:9]([cH:4][c:10]([O:33][C@H:21]3[C@H:19]([OH:31])[C@@H:17]([OH:29])[C@H:14]([OH:26])[C@@H:11]([CH2:5][OH:22])[O:34]3)[c:13]([OH:25])[c:15]2[OH:27])[o:32]1

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:191744 chebi:191744	Quercetagitrin 2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one Quercetagetin-7-O-glucoside
hmdb:HMDB0030624	Quercetagitrin 2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one Quercetagetin 7-glucoside Quercetagetin-7-O-glucoside
metacyc.compound:CPD-14908 metacycM:CPD-14908 seed.compound:cpd33723 seedM:cpd33723	quercetagetin 7-O-glucoside quercetagritin
hmdb:HMDB30624 seedM:M_cpd33723	secondary/obsolete/fantasy identifier