CHEBI:70457 - 17,24-epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one

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ChEBI Name 17,24-epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one
ChEBI ID CHEBI:70457
Definition A natural product found in Aglaia foveolata.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H48O4
Net Charge 0
Average Mass 460.68900
Monoisotopic Mass 460.35526
InChI InChI=1S/C29H48O4/c1-24(2)19-10-14-28(7)20(26(19,5)13-11-21(24)30)9-8-18-23-29(32,17-16-27(18,28)6)15-12-22(33-23)25(3,4)31/h18-20,22-23,31-32H,8-17H2,1-7H3/t18-,19+,20-,22+,23-,26+,27-,28-,29-/m1/s1
InChIKey NNNRTJSRGAXLIH-JGYUFZKTSA-N
SMILES [H][C@]12CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(O)CC[C@H](O[C@]21[H])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-20alpha,25-dihydroxy-21-norbaccharan-3-one (CHEBI:70457) has role metabolite (CHEBI:25212)
17,24-epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one (CHEBI:70457) is a organic heterotricyclic compound (CHEBI:26979)
17,24-epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one (CHEBI:70457) is a organooxygen compound (CHEBI:36963)
Citation Waiting for Citations Type Source
20939540 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:naphthalenes(CHEBI:25477); ISA:cyclohexanones(CHEBI:23482); ISA:oxanes(CHEBI:46942); ISA:pyrans(CHEBI:26407); ISA:monosaccharide(CHEBI:35381); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698);