CHEBI:68025 - Preleosibirone A, (rel)-

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ChEBI Name Preleosibirone A, (rel)-
ChEBI ID CHEBI:68025
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/c1-13-16(24)17(25)18-19(3,4)15(27-14(2)23)6-7-20(18,5)22(13)9-8-21(28-22)10-11-26-12-21/h10-11,13,15,17-18,25H,6-9,12H2,1-5H3/t13-,15-,17-,18+,20+,21+,22-/m1/s1
InChIKey PHNDFJBMMYOJPB-FYUPEHAASA-N
SMILES [H][C@@]12[C@H](O)C(=O)[C@@H](C)[C@]3(CC[C@]4(COC=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 Preleosibirone A, (rel)- (CHEBI:68025) has role metabolite (CHEBI:25212)
Preleosibirone A, (rel)- (CHEBI:68025) is a diterpenoid (CHEBI:23849)
Synonyms Sources
15,16-diepoxy-6beta-hydroxy labd-14-en-7-one ChEBI
rel-3alpha-acetoxy-9alpha,13S 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:dihydrofuran(CHEBI:51659); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);