tricin 7-O-neohesperidoside (CHEBI:131777)

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CHEBI:131777 - tricin 7-O-neohesperidoside

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ChEBI ID	CHEBI:131777
ChEBI Name	tricin 7-O-neohesperidoside
Stars
ASCII Name	tricin 7-O-neohesperidoside
Definition	A glycosyloxyflavone that is 3',5'-di-O-methyltricetin (tricin) in which the phenolic hydrogen at position 7 has been replaced by a neohesperidosyl group.
Last Modified	18 November 2016
Submitter	mwilliams
Downloads	Molfile

Formula	C29H34O16
Net Charge	0
Average Mass	638.575
Monoisotopic Mass	638.18469
SMILES	COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc(OC)c1O
InChI	InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3/t10-,19+,21-,23+,24+,25-,26+,27+,28-,29+/m0/s1
InChIKey	AIBMPOJXBGZIPQ-QWNFCSOYSA-N

Species of Metabolite	Component	Source	Comments
Oryza sativa (ncbitaxon:4530)
	seed (BTO:0001226)	PubMed (26860358)
	seed (BTO:0001226)	MetaboLights (MTBLS287)
Saccharum officinarum (ncbitaxon:4547)	-	PubMed (17019935)

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)
	tricin 7-O-neohesperidoside (CHEBI:131777) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
	tricin 7-O-neohesperidoside (CHEBI:131777) has role plant metabolite (CHEBI:76924)
	tricin 7-O-neohesperidoside (CHEBI:131777) is a dihydroxyflavone (CHEBI:38686)
	tricin 7-O-neohesperidoside (CHEBI:131777) is a dimethoxyflavone (CHEBI:23798)
	tricin 7-O-neohesperidoside (CHEBI:131777) is a glycosyloxyflavone (CHEBI:50018)
	tricin 7-O-neohesperidoside (CHEBI:131777) is a neohesperidoside (CHEBI:25495)
	tricin 7-O-neohesperidoside (CHEBI:131777) is a polyphenol (CHEBI:26195)

IUPAC Name
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

Synonyms	Source
Tricin 7-neohesperidoside	LIPID MAPS
7-O-[α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl]tricin	ChEBI
7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]tricin	ChEBI

Manual Xrefs	Databases
LMPK12110862	LIPID MAPS
C00004462	KNApSAcK
HMDB0037462	HMDB

Registry Numbers	Sources
Reaxys:5843908	Reaxys
CAS:53766-40-8	KNApSAcK

Citations