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

ChEBI IDCHEBI:70601
ChEBI Name14-angeloyloxy-2alpha,3alpha-epoxy-1beta-hydroxydeltonorcacalol
Stars
DefinitionA natural product found in Parasenecio deltophyllus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H24O7
Net Charge0
Average Mass376.405
Monoisotopic Mass376.15220
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
InChIInChI=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
InChIKeyMTYVORPSHXIKQD-GTNOQCDASA-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-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-enoateChEBI
Citations