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CHEBI:70626 - acacetin-8-C-neohesperidoside

ChEBI IDCHEBI:70626
ChEBI Nameacacetin-8-C-neohesperidoside
Stars
ASCII Nameacacetin-8-C-neohesperidoside
DefinitionA 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.
Last Modified15 April 2015
DownloadsMolfile
FormulaC28H32O14
Net Charge0
Average Mass592.550
Monoisotopic Mass592.17921
SMILES[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc23)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyAOXGLIJSZLOQNZ-WBXLRLGPSA-N
Species of MetaboliteComponentSourceComments
Fortunella japonica (ncbitaxon:76966) - DOI (10.1021/np100004v)
Piper ossanum (ncbitaxon:405338) leaf (BTO:0000713) DOI (10.1021/np100004v) Aqueous extract of dried and ground leaves
Alternanthera tenella (ncbitaxon:326744) - DOI (10.1021/np100004v)
Fortunella margarita (ncbitaxon:85437) - DOI (10.1021/np100004v)
Alternanthera maritima (IPNI:59233-1) - DOI (10.1021/np100004v)
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)
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  Source
2''-O-α-rhamnosyl-4'-O-methylvitexinChEBI
Acacetin-8-C-α-rhamnosyl-(1→2)-β-glucopyranosideChEBI
Registry NumbersSources
Reaxys:6886008Reaxys