CHEBI:68028 - Leosibirone A

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ChEBI Name Leosibirone A
ChEBI ID CHEBI:68028
Definition A natural product found in Leonurus sibiricus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H32O6
Net Charge 0
Average Mass 392.48590
Monoisotopic Mass 392.21989
InChI InChI=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
InChIKey RWOAGXCXGZWXLF-VCOBGZKZSA-N
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
Metabolite of Species Details
Leonurus sibiricus (NCBI:txid405945) Found in leaf (BTO:0000713). Dried and powdered leaves were extracted with n-hexane See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-one ChEBI
Citation Waiting for Citations Type Source
21375312 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cyclohexanones(CHEBI:23482); ISA:tertiary alcohol(CHEBI:26878); ISA:furans(CHEBI:24129); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);