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

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ChEBI Name 17,24-epoxy-25-hydroxy-21-methoxy-3,4-secobaccharane
ChEBI ID CHEBI:70462
Definition A natural product found in Aglaia foveolata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H52O7
Net Charge 0
Average Mass 536.74040
Monoisotopic Mass 536.37130
InChI InChI=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
InChIKey DRHYLVNJSZLPMV-IOXGOOADSA-N
SMILES [H][C@]12CC[C@]3([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@H](O[C@]21[H])C(C)(C)O)C(=O)OC)C(C)(C)O
Metabolite of Species Details
Aglaia foveolata (IPNI:968391-1) Found in stem (BTO:0001300). Previous component: stem bark; Methanolic extract of dried stem bark 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 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)
Citation Waiting for Citations Type Source
20939540 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:17-hydroxy steroid(CHEBI:36838); ISA:organic heterotricyclic compound(CHEBI:26979); ISA:organooxygen compound(CHEBI:36963); ISA:sesquiterpenoid(CHEBI:26658); ISA:naphthalenes(CHEBI:25477); ISA:carbocyclic fatty acid(CHEBI:35744); ISA:pyrans(CHEBI:26407); ISA:monosaccharide(CHEBI:35381); ISA:oxanes(CHEBI:46942); ISA:dicarboxylic acid(CHEBI:35692); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary alcohol(CHEBI:26878); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);