EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68027 - Isopreleosibirone

ChEBI IDCHEBI:68027
ChEBI NameIsopreleosibirone
Stars
DefinitionA natural product found in Leonurus sibiricus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILES[H][C@@]12C(=O)[C@H](O)[C@@H](C)[C@]3(CC[C@@]4(C=COC4)O3)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C
InChIInChI=1S/C22H32O6/c1-13-16(24)17(25)18-19(3,4)15(27-14(2)23)6-7-20(18,5)22(13)9-8-21(28-22)10-11-26-12-21/h10-11,13,15-16,18,24H,6-9,12H2,1-5H3/t13-,15-,16-,18+,20+,21+,22-/m1/s1
InChIKeyHOIUWXWVVKJHSD-WQPGSDOWSA-N
Species of MetaboliteComponentSourceComments
Leonurus sibiricus (ncbitaxon:405945) leaf (BTO:0000713) PubMed (21375312) Dried and powdered leaves were extracted with n-hexane
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)
Isopreleosibirone (CHEBI:68027) has role metabolite (CHEBI:25212)
Isopreleosibirone (CHEBI:68027) is a diterpenoid (CHEBI:23849)
Synonyms  Source
3alpha-acetoxy-9alpha,13SChEBI
15,16-diepoxy-7beta-hydroxylabd-14-en-6-oneChEBI
Citations