isoorientin 2''-O-rhamnoside (CHEBI:28596)

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CHEBI:28596 - isoorientin 2''-O-rhamnoside

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ChEBI ID	CHEBI:28596
ChEBI Name	isoorientin 2''-O-rhamnoside
Stars
ASCII Name	isoorientin 2''-O-rhamnoside
Definition	A tetrahydroxyflavone that consists of isoorientin substituted by a rhamnosyl moiety at position 2".
Secondary ChEBI IDs	CHEBI:6035, CHEBI:24906
Last Modified	14 October 2014
Downloads	Molfile

Formula	C27H30O15
Net Charge	0
Average Mass	594.522
Monoisotopic Mass	594.15847
SMILES	C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C27H30O15/c1-8-19(33)22(36)24(38)27(39-8)42-26-23(37)20(34)16(7-28)41-25(26)18-13(32)6-15-17(21(18)35)12(31)5-14(40-15)9-2-3-10(29)11(30)4-9/h2-6,8,16,19-20,22-30,32-38H,7H2,1H3/t8-,16+,19-,20+,22+,23-,24+,25-,26+,27?/m0/s1
InChIKey	IUYFTHKQEWZTHY-LQQQXCKLSA-N

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.
Application:	antifeedant A substance that prevents pests from feeding.

ChEBI Ontology

Outgoing Relation(s)
	isoorientin 2''-O-rhamnoside (CHEBI:28596) has functional parent isoorientin (CHEBI:17965)
	isoorientin 2''-O-rhamnoside (CHEBI:28596) has role antifeedant (CHEBI:22583)
	isoorientin 2''-O-rhamnoside (CHEBI:28596) has role plant metabolite (CHEBI:76924)
	isoorientin 2''-O-rhamnoside (CHEBI:28596) is a flavone C-glycoside (CHEBI:83280)
	isoorientin 2''-O-rhamnoside (CHEBI:28596) is a tetrahydroxyflavone (CHEBI:38684)
Incoming Relation(s)
Incoming Relation(s)	2''-O-α-L-rhamnosylisoorietin (CHEBI:70203) is a isoorientin 2''-O-rhamnoside (CHEBI:28596)

IUPAC Name
(1S)-1,5-anhydro-2-O-(6-deoxy-L-mannopyranosyl)-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol

Synonyms	Source
Isoorientin 2''-O-rhamnoside	KEGG COMPOUND
rhamnosylisoorientin	ChEBI

Manual Xrefs	Databases
C03870	KEGG COMPOUND
CPD-9587	MetaCyc
LMPK12110495	LIPID MAPS
C00006208	KNApSAcK

Registry Numbers	Sources
Reaxys:8028926	Reaxys

Citations