CHEBI:70626 - acacetin-8-C-neohesperidoside

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ChEBI Name acacetin-8-C-neohesperidoside
ChEBI ID CHEBI:70626
ChEBI ASCII Name acacetin-8-C-neohesperidoside
Definition A flavone C-glycoside that is acacetin substituted by an α-rhamnosyl-(1→2)-β-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has been isolated from Fortunella japonica and Fortunella margarita.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C28H32O14
Net Charge 0
Average Mass 592.54530
Monoisotopic Mass 592.17921
InChI InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3/t10-,17+,20-,21+,22+,23-,24+,26-,27+,28-/m0/s1
InChIKey AOXGLIJSZLOQNZ-WBXLRLGPSA-N
SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c2o1
Metabolite of Species Details
Alternanthera maritima (IPNI:59233-1) See: DOI
Alternanthera tenella (NCBI:txid326744) See: DOI
Piper ossanum (NCBI:txid405338) Found in leaf (BTO:0000713). Aqueous extract of dried and ground leaves See: DOI
Fortunella japonica (NCBI:txid76966) See: DOI
Fortunella margarita (NCBI:txid85437) See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing acacetin-8-C-neohesperidoside (CHEBI:70626) has functional parent 5,7-dihydroxy-4'-methoxyflavone (CHEBI:15335)
acacetin-8-C-neohesperidoside (CHEBI:70626) has role plant metabolite (CHEBI:76924)
acacetin-8-C-neohesperidoside (CHEBI:70626) is a dihydroxyflavone (CHEBI:38686)
acacetin-8-C-neohesperidoside (CHEBI:70626) is a disaccharide derivative (CHEBI:63353)
acacetin-8-C-neohesperidoside (CHEBI:70626) is a flavone C-glycoside (CHEBI:83280)
acacetin-8-C-neohesperidoside (CHEBI:70626) is a monomethoxyflavone (CHEBI:25401)
IUPAC Name
(1S)-1,5-anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol
Synonyms Sources
2''-O-α-rhamnosyl-4'-O-methylvitexin ChEBI
Acacetin-8-C-α-rhamnosyl-(1→2)-β-glucopyranoside ChEBI
Registry Number Type Source
6886008 Reaxys Registry Number Reaxys
Last Modified
15 April 2015