CHEBI:70205 - cassiaoccidentalin B

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ChEBI Name cassiaoccidentalin B
ChEBI ID CHEBI:70205
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H28O14
Net Charge 0
Average Mass 576.50280
Monoisotopic Mass 576.14791
InChI InChI=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
InChIKey WGIMZJFXUGTVFX-RUYCBFJTSA-N
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H](C)[C@H](O)C2=O)c2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Cassia occidentalis (NCBI:txid126820) See: PubMed
Petrorhagia velutina (NCBI:txid308175) Found in leaf (BTO:0000713). Methanolic extract of dried leaf and root See: PubMed
Petrorhagia velutina (NCBI:txid308175) Found in root (BTO:0001188). Methanolic extract of dried leaf and root See: PubMed
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.
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ChEBI Ontology
Outgoing 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 Number Type Source
8530621 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21080643 PubMed citation Europe PMC
Last Modified
06 February 2018