isoorientin 2''-O-glucoside (CHEBI:131779)

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CHEBI:131779 - isoorientin 2''-O-glucoside

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ChEBI ID	CHEBI:131779
ChEBI Name	isoorientin 2''-O-glucoside
Stars
ASCII Name	isoorientin 2''-O-glucoside
Definition	A tetrahydroxyflavone that consists of isoorientin having a β-glucosyl residue attached at position 2''.
Last Modified	18 November 2016
Submitter	mwilliams
Downloads	Molfile

Formula	C27H30O16
Net Charge	0
Average Mass	610.521
Monoisotopic Mass	610.15338
SMILES	O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChI	InChI=1S/C27H30O16/c28-6-15-20(35)23(38)26(43-27-24(39)22(37)19(34)16(7-29)42-27)25(41-15)18-12(33)5-14-17(21(18)36)11(32)4-13(40-14)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25+,26-,27+/m1/s1
InChIKey	QWAZWXOCSOFIPS-FASGCTRLSA-N

Species of Metabolite	Component	Source	Comments
Oryza sativa (ncbitaxon:4530)
	seed (BTO:0001226)	MetaboLights (MTBLS287)
	seed (BTO:0001226)	PubMed (26860358)
	leaf (BTO:0000713)	PubMed (23849114)
Passiflora incarnata (ncbitaxon:159425)	-	PubMed (2026709)
Dianthus chinensis (ncbitaxon:118431)	aerial part (BTO:0001658)	PubMed (7764590)

Roles Classification

Biological Role:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	isoorientin 2''-O-glucoside (CHEBI:131779) has functional parent isoorientin (CHEBI:17965)
	isoorientin 2''-O-glucoside (CHEBI:131779) has role plant metabolite (CHEBI:76924)
	isoorientin 2''-O-glucoside (CHEBI:131779) is a flavone C-glycoside (CHEBI:83280)
	isoorientin 2''-O-glucoside (CHEBI:131779) is a polyphenol (CHEBI:26195)
	isoorientin 2''-O-glucoside (CHEBI:131779) is a tetrahydroxyflavone (CHEBI:38684)

IUPAC Name
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-2-O-β-D-glucopyranosyl-D-glucitol

Synonyms	Source
Isoorientin 2''-O-glucopyranoside	LIPID MAPS
Meloside L	KNApSAcK
isoorientin 2''-glucoside	ChEBI
isoorientin 2''-glucopyranoside	ChEBI

Manual Xrefs	Databases
LMPK12110497	LIPID MAPS
C00006210	KNApSAcK
HMDB0029478	HMDB

Registry Numbers	Sources
Reaxys:8101267	Reaxys
CAS:55196-48-0	KNApSAcK

Citations