calabricoside A (CHEBI:65550)

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CHEBI:65550 - calabricoside A

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ChEBI ID	CHEBI:65550
ChEBI Name	calabricoside A
Stars
Definition	A quercetin O-glucoside in which a α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl and a β-D-glucopyranosyl residue is attached respectively via a glycosidic linkage at positions 3 and 7 of quercetin. It is isolated from the aerial parts of Putoria calabrica and exhibits radical scavenging activity.
Last Modified	30 November 2012
Downloads	Molfile

Formula	C32H38O20
Net Charge	0
Average Mass	742.636
Monoisotopic Mass	742.19564
SMILES	[H][C@]1(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)OC[C@H](O)[C@@H]1O
InChI	InChI=1S/C32H38O20/c1-9-19(38)23(42)25(44)30(47-9)52-29-20(39)15(37)8-46-32(29)51-28-22(41)18-14(36)5-11(48-31-26(45)24(43)21(40)17(7-33)50-31)6-16(18)49-27(28)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15-,17+,19-,20-,21+,23+,24-,25+,26+,29+,30-,31+,32-/m0/s1
InChIKey	PIVQUVFXPIBUOI-YTWWQYEOSA-N

Species of Metabolite	Component	Source	Comments
Putoria calabrica (ncbitaxon:35915)	aerial part (BTO:0001658)	PubMed (11473436)

Roles Classification

Chemical Role:	radical scavenger A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Role:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	calabricoside A (CHEBI:65550) has role metabolite (CHEBI:25212)
	calabricoside A (CHEBI:65550) has role radical scavenger (CHEBI:48578)
	calabricoside A (CHEBI:65550) is a quercetin O-glucoside (CHEBI:64621)
	calabricoside A (CHEBI:65550) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

Synonyms	Source
3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	ChEBI
quercetin-3-O-[α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside]-7-O-β-D-glucopyranoside	ChEBI

Manual Xrefs	Databases
9051656	ChemSpider

Registry Numbers	Sources
Reaxys:8891791	Reaxys

Citations