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CHEBI:70205 - cassiaoccidentalin B

ChEBI IDCHEBI:70205
ChEBI Namecassiaoccidentalin B
Stars
DefinitionA flavone C-glycoside that is luteolin substituted by a 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-β-L-ribo-hexopyranos-3-ulosyll residue at position 6. It has been found in Petrorhagia velutina and Cassia occidentalis.
Last Modified6 February 2018
DownloadsMolfile
FormulaC27H28O14
Net Charge0
Average Mass576.507
Monoisotopic Mass576.14791
SMILES[H][C@@]1(O[C@H]2C(=O)[C@@H](O)[C@H](C)O[C@@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20-,22+,24+,25+,26-,27-/m0/s1
InChIKeyWGIMZJFXUGTVFX-RUYCBFJTSA-N
Species of MetaboliteComponentSourceComments
Petrorhagia velutina (ncbitaxon:308175)
root (BTO:0001188) PubMed (21080643) Methanolic extract of dried leaf and root
leaf (BTO:0000713) PubMed (21080643) Methanolic extract of dried leaf and root
Cassia occidentalis (ncbitaxon:126820) - PubMed (21080643)
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)
cassiaoccidentalin B (CHEBI:70205) has functional parent luteolin (CHEBI:15864)
cassiaoccidentalin B (CHEBI:70205) has role plant metabolite (CHEBI:76924)
cassiaoccidentalin B (CHEBI:70205) is a disaccharide derivative (CHEBI:63353)
cassiaoccidentalin B (CHEBI:70205) is a flavone C-glycoside (CHEBI:83280)
cassiaoccidentalin B (CHEBI:70205) is a secondary α-hydroxy ketone (CHEBI:2468)
cassiaoccidentalin B (CHEBI:70205) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
(1R)-1,5-anhydro-6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-L-ribo-hex-3-ulose
Registry NumbersSources
Reaxys:8530621Reaxys
Citations