CHEBI:68026 - 13-epi-Preleosibirone

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ChEBI Name 13-epi-Preleosibirone
ChEBI ID CHEBI:68026
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-IYANZZNRSA-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 13-epi-Preleosibirone (CHEBI:68026) has role metabolite (CHEBI:25212)
13-epi-Preleosibirone (CHEBI:68026) is a diterpenoid (CHEBI:23849)
Synonyms Sources
15,16-diepoxy-6beta-hydroxy labd-14-en-7-one ChEBI
3alpha-acetoxy-9alpha,13R 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);