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CHEBI:68105 - beta-sitostenone

ChEBI IDCHEBI:68105
ChEBI Namebeta-sitostenone
Stars
DefinitionA natural product found in Radermachera boniana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H48O
Net Charge0
Average Mass412.702
Monoisotopic Mass412.37052
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@@H](CC)C(C)C
InChIInChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyRUVUHIUYGJBLGI-XJZKHKOHSA-N
Species of MetaboliteComponentSourceComments
Radermachera boniana (IPNI:110489-1)
twig (BTO:0001411) PubMed (21469696) Ethylacetate extract of dried and ground mixture of twigs and leaves
leaf (BTO:0000713) PubMed (21469696) Ethylacetate extract of dried and ground mixture of twigs and leaves
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)
beta-sitostenone (CHEBI:68105) has parent hydride stigmastane (CHEBI:26773)
beta-sitostenone (CHEBI:68105) has role metabolite (CHEBI:25212)
beta-sitostenone (CHEBI:68105) is a C29-steroid (CHEBI:188923)
beta-sitostenone (CHEBI:68105) is a steroid (CHEBI:35341)
Synonym  Source
Stigmast-4-en-3-oneChEBI
Manual XrefsDatabases
0001058613ChemIDplus
Citations