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CHEBI:68028 - Leosibirone A

ChEBI IDCHEBI:68028
ChEBI NameLeosibirone A
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@@]12[C@H](O)C(=O)[C@@H](C)[C@](O)(CCc3ccoc3)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C
InChIInChI=1S/C22H32O6/c1-13-17(24)18(25)19-20(3,4)16(28-14(2)23)7-9-21(19,5)22(13,26)10-6-15-8-11-27-12-15/h8,11-13,16,18-19,25-26H,6-7,9-10H2,1-5H3/t13-,16-,18-,19+,21+,22-/m1/s1
InChIKeyRWOAGXCXGZWXLF-VCOBGZKZSA-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 A (CHEBI:68028) has role metabolite (CHEBI:25212)
Leosibirone A (CHEBI:68028) is a diterpenoid (CHEBI:23849)
Synonym  Source
3alpha-acetoxy-15,16-epoxy-6beta,9alpha-dihydroxylabda-13(16),14-dien-7-oneChEBI
Citations