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CHEBI:69321 - 6beta-hydroxystigmast-4-en-3-one

ChEBI IDCHEBI:69321
ChEBI Name6beta-hydroxystigmast-4-en-3-one
Stars
DefinitionA natural product found in Beilschmiedia tsangii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H48O2
Net Charge0
Average Mass428.701
Monoisotopic Mass428.36543
SMILES[H][C@@]12C[C@@H](O)C3=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/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,27-,28-,29-/m1/s1
InChIKeyIWNCBADONFSAAW-NFVQQQKOSA-N
Species of MetaboliteComponentSourceComments
Beilschmiedia tsangii (IPNI:462970-1) root (BTO:0001188) PubMed (21846089) Cold MeOH extract of dry and sliced roots
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)
6beta-hydroxystigmast-4-en-3-one (CHEBI:69321) has parent hydride stigmastane (CHEBI:26773)
6beta-hydroxystigmast-4-en-3-one (CHEBI:69321) has role metabolite (CHEBI:25212)
6beta-hydroxystigmast-4-en-3-one (CHEBI:69321) is a steroid (CHEBI:35341)
Citations