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scutellarin

Properties

Image

Occurences in reactions

MNX_ID

MNXM7763

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₁H₁₇O₁₂

charge

-1

mass

461.07255

reference

chebi:61284

InChIKey

DJSISFGPUUYILV-ZFORQUDYSA-M

InChI

InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/p-1/t16-,17-,18+,19-,21+/m0/s1

SMILES

O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61284 chebi:61284	scutellarin 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronate scutellarein 7-O-beta-D-glucuronate scutellarin(1-)
seed.compound:cpd33010 seedM:cpd33010	5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronate scutellarein 7-O-beta-D-glucuronate scutellarin
sabiork.compound:30417 sabiorkM:30417	Scutellarin
metacyc.compound:CPD-15063 metacycM:CPD-15063	scutellarin 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronate scutellarein 7-O-beta-D-glucuronate
CHEBI:61278 chebi:61278	scutellarin 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid Scutellarein 7-O-beta-D-glucuronide Scutellarein-7-O-beta-D-glucuronide Scutellarein-7-glucuronide Scutellarein-7beta-D-glucuronide Scutellarein-7beta-D-glucuronoside
seedM:M_cpd33010	secondary/obsolete/fantasy identifier