CHEBI:68029 - Leosibirone B, (rel)-

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Leosibirone B, (rel)-
ChEBI ID CHEBI:68029
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 C22H34O7
Net Charge 0
Average Mass 410.50120
Monoisotopic Mass 410.23045
InChI InChI=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
InChIKey MVQVPUNXXBZCSY-ZRHOJFANSA-N
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
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 B, (rel)- (CHEBI:68029) has role metabolite (CHEBI:25212)
Leosibirone B, (rel)- (CHEBI:68029) is a diterpenoid (CHEBI:23849)
Synonyms Sources
15,16-diepoxy labd-6-one ChEBI
rel-3alpha-acetoxy-7beta,15alpha-dihydroxy-9alpha,13alpha 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:monosaccharide(CHEBI:35381); ISA:oxolanes(CHEBI:26912); ISA:hemiacetal(CHEBI:5653); 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);