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CHEBI:70602 - 14-angeloyloxy-2alpha,3alpha-epoxy-1-oxo-O-methylcacalol

ChEBI IDCHEBI:70602
ChEBI Name14-angeloyloxy-2alpha,3alpha-epoxy-1-oxo-O-methylcacalol
Stars
DefinitionA natural product found in Parasenecio deltophyllus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILES[H][C@@]12O[C@]1([H])C(=O)c1c(c(COC(=O)/C(C)=C\C)c3c(C)coc3c1OC)[C@H]2C
InChIInChI=1S/C21H22O6/c1-6-9(2)21(23)26-8-12-13-10(3)7-25-19(13)18(24-5)15-14(12)11(4)17-20(27-17)16(15)22/h6-7,11,17,20H,8H2,1-5H3/b9-6-/t11-,17+,20-/m1/s1
InChIKeyFBZSDKQMXBAROQ-HHTLWVCYSA-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-2alpha,3alpha-epoxy-1-oxo-O-methylcacalol (CHEBI:70602) has role metabolite (CHEBI:25212)
14-angeloyloxy-2alpha,3alpha-epoxy-1-oxo-O-methylcacalol (CHEBI:70602) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
[(1aS,8R,8aS)-3-Methoxy-6,8-dimethyl-2-oxo-1a,2,8,8a-tetrahydrooxireno[6,7]naphtho[2,3-b]furan-7-yl]methyl (2Z)-2-methyl-2-butenoateChEBI
Citations