CHEBI:76954 - (13S)-vitexifolin A

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ChEBI Name (13S)-vitexifolin A
ChEBI ID CHEBI:76954
ChEBI ASCII Name (13S)-vitexifolin A
Definition A labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 14 and carries an S-hydroxy group at position 13.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C20H34O
Net Charge 0
Average Mass 290.48340
Monoisotopic Mass 290.26097
InChI InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17+,19-,20-/m1/s1
InChIKey CECREIRZLPLYDM-PIKOESSRSA-N
SMILES C[C@](O)(CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
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 (13S)-vitexifolin A (CHEBI:76954) has role metabolite (CHEBI:25212)
(13S)-vitexifolin A (CHEBI:76954) is a labdane diterpenoid (CHEBI:36770)
(13S)-vitexifolin A (CHEBI:76954) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(3S)-3-methyl-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-1-en-3-ol
Synonym Source
(13S)-vitexifolin A UniProt
Manual Xref Database
CPD-14035 MetaCyc
View more database links
Registry Number Type Source
21378406 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21290071 PubMed citation SUBMITTER
Last Modified
27 January 2014