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CHEBI:70462 - 17,24-epoxy-25-hydroxy-21-methoxy-3,4-secobaccharane

ChEBI IDCHEBI:70462
ChEBI Name17,24-epoxy-25-hydroxy-21-methoxy-3,4-secobaccharane
Stars
DefinitionA natural product found in Aglaia foveolata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H52O7
Net Charge0
Average Mass536.750
Monoisotopic Mass536.37130
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@H](C(C)(C)O)[C@]3(C)CCC(=O)O)[C@]1(C)CC[C@@]1(C(=O)OC)CC[C@@H](C(C)(C)O)O[C@@]12[H]
InChIInChI=1S/C31H52O7/c1-26(2,35)20-11-15-30(7)21(28(20,5)14-13-23(32)33)10-9-19-24-31(25(34)37-8,18-17-29(19,30)6)16-12-22(38-24)27(3,4)36/h19-22,24,35-36H,9-18H2,1-8H3,(H,32,33)/t19-,20+,21-,22+,24-,28+,29-,30-,31+/m1/s1
InChIKeyDRHYLVNJSZLPMV-IOXGOOADSA-N
Species of MetaboliteComponentSourceComments
Aglaia foveolata (IPNI:968391-1) stem (BTO:0001300) PubMed (20939540) Previous component: stem bark; Methanolic extract of dried stem bark
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)
17,24-epoxy-25-hydroxy-21-methoxy-3,4-secobaccharane (CHEBI:70462) has role metabolite (CHEBI:25212)
17,24-epoxy-25-hydroxy-21-methoxy-3,4-secobaccharane (CHEBI:70462) is a steroid acid (CHEBI:47891)
Citations