CHEBI:70601 - 14-angeloyloxy-2alpha,3alpha-epoxy-1beta-hydroxydeltonorcacalol

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ChEBI Name 14-angeloyloxy-2alpha,3alpha-epoxy-1beta-hydroxydeltonorcacalol
ChEBI ID CHEBI:70601
Definition A natural product found in Parasenecio deltophyllus.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000066102567
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Formula C20H24O7
Net Charge 0
Average Mass 376.40040
Monoisotopic Mass 376.15220
InChI InChI=1S/C20H24O7/c1-6-8(2)20(24)26-7-11-12-9(3)17-19(27-17)16(23)14(12)18(25-5)15(22)13(11)10(4)21/h6,9,16-17,19,22-23H,7H2,1-5H3/b8-6-/t9-,16+,17+,19-/m1/s1
InChIKey MTYVORPSHXIKQD-GTNOQCDASA-N
SMILES [H][C@@]12O[C@]1([H])[C@@H](O)c1c(OC)c(O)c(C(C)=O)c(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 14-angeloyloxy-2alpha,3alpha-epoxy-1beta-hydroxydeltonorcacalol (CHEBI:70601) has role metabolite (CHEBI:25212)
14-angeloyloxy-2alpha,3alpha-epoxy-1beta-hydroxydeltonorcacalol (CHEBI:70601) is a tetralins (CHEBI:36786)
Synonym Source
[(1aR,2S,7R,7aS)-5-acetyl-2,4-dihydroxy-3-methoxy-7-methyl-1a,2,7,7a-tetrahydronaphtho[6,7-b]oxiren-6-yl]methyl (Z)-2-methylbut-2-enoate ChEBI
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:carboxylic ester(CHEBI:33308); HFP:benzyl alcohol(CHEBI:17987); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:acetophenones(CHEBI:22187); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:aromatic ether(CHEBI:35618); ISA:fatty acid ester(CHEBI:35748); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:enoate ester(CHEBI:51702); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:epoxide(CHEBI:32955); ISA:aromatic alcohol(CHEBI:33854);