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CHEBI:68029 - Leosibirone B, (rel)-

ChEBI IDCHEBI:68029
ChEBI NameLeosibirone B, (rel)-
Stars
DefinitionA natural product found in Leonurus sibiricus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H34O7
Net Charge0
Average Mass410.507
Monoisotopic Mass410.23045
SMILES[H][C@@]12C(=O)[C@H](O)[C@@H](C)[C@]3(CC[C@]4(CO[C@H](O)C4)O3)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C
InChIInChI=1S/C22H34O7/c1-12-16(25)17(26)18-19(3,4)14(28-13(2)23)6-7-20(18,5)22(12)9-8-21(29-22)10-15(24)27-11-21/h12,14-16,18,24-25H,6-11H2,1-5H3/t12-,14-,15+,16-,18+,20+,21+,22-/m1/s1
InChIKeyMVQVPUNXXBZCSY-ZRHOJFANSA-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)
Leosibirone B, (rel)- (CHEBI:68029) has role metabolite (CHEBI:25212)
Leosibirone B, (rel)- (CHEBI:68029) is a diterpenoid (CHEBI:23849)
Synonyms  Source
rel-3alpha-acetoxy-7beta,15alpha-dihydroxy-9alpha,13alphaChEBI
15,16-diepoxy labd-6-oneChEBI
Citations