CHEBI:68030 - 15-epi-Leosibirone B, (rel)-

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ChEBI Name 15-epi-Leosibirone B, (rel)-
ChEBI ID CHEBI:68030
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-NSNZHKFZSA-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 15-epi-Leosibirone B, (rel)- (CHEBI:68030) has role metabolite (CHEBI:25212)
15-epi-Leosibirone B, (rel)- (CHEBI:68030) is a diterpenoid (CHEBI:23849)
Synonyms Sources
15,16-diepoxy labd-6-one ChEBI
rel-3alpha-acetoxy-7beta,15beta-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);