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

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ChEBI Name 14-angeloyloxy-2alpha,3alpha-epoxy-1-oxo-O-methylcacalol
ChEBI ID CHEBI:70602
Definition A natural product found in Parasenecio deltophyllus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H22O6
Net Charge 0
Average Mass 370.39580
Monoisotopic Mass 370.14164
InChI InChI=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
InChIKey FBZSDKQMXBAROQ-HHTLWVCYSA-N
SMILES [H][C@@]12O[C@]1([H])C(=O)c1c(OC)c3occ(C)c3c(COC(=O)C(\C)=C/C)c1[C@H]2C
Metabolite of Species Details
Parasenecio deltophyllus (NCBI:txid186962) Found in aerial part (BTO:0001658). The air-dried aerial parts were powdered and extracted with petroleum ether-Et2O-MeOH See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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-butenoate ChEBI
Citation Waiting for Citations Type Source
20968296 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:naphthofuran(CHEBI:39270); ISA:carboxylic ester(CHEBI:33308); HFP:benzyl alcohol(CHEBI:17987); ISA:tetralins(CHEBI:36786); ISA:benzyl ether(CHEBI:59859); ISA:benzofurans(CHEBI:35259); ISA:aromatic ketone(CHEBI:76224); ISA:methoxybenzene(CHEBI:51683); ISA:fatty acid ester(CHEBI:35748); ISA:aromatic ether(CHEBI:35618); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:furans(CHEBI:24129); ISA:epoxide(CHEBI:32955); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698);