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CHEBI:70603 - 14-angeloyloxy-11alpha-hydroxy-Omethyl-1,2,3,4-tetrahydrocacalolide

Default Structure
ChEBI IDCHEBI:70603
ChEBI Name14-angeloyloxy-11alpha-hydroxy-Omethyl-1,2,3,4-tetrahydrocacalolide
Stars
DefinitionA natural product found in Parasenecio deltophyllus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESC/C=C(/C)C(=O)OCc1c2c(c(OC)c3cccc(C)c13)OC(=O)[C@]2(C)O
InChIInChI=1S/C21H22O6/c1-6-11(2)19(22)26-10-14-15-12(3)8-7-9-13(15)17(25-5)18-16(14)21(4,24)20(23)27-18/h6-9,24H,10H2,1-5H3/b11-6-/t21-/m1/s1
InChIKeyPHJXJLUAXVXKCQ-JLXOPUERSA-N
Species of MetaboliteComponentSourceComments
Parasenecio deltophyllus (ncbitaxon:186962) aerial part (BTO:0001658) PubMed (20968296) The air-dried aerial parts were powdered and extracted with petroleum ether-Et2O-MeOH
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
14-angeloyloxy-11alpha-hydroxy-Omethyl-1,2,3,4-tetrahydrocacalolide (CHEBI:70603) has role metabolite (CHEBI:25212)
14-angeloyloxy-11alpha-hydroxy-Omethyl-1,2,3,4-tetrahydrocacalolide (CHEBI:70603) is a naphthofuran (CHEBI:39270)
Synonym  Source
[(3R)-3-hydroxy-9-methoxy-3,5-dimethyl-2-oxobenzo[f][1]benzofuran-4-yl]methyl(Z)-2-methylbut-2-enoateChEBI
Citations