CHEBI:69949 - (1R,3S,4S,7E,11S,12S,14S)-14-Acetoxy-3,4-epoxy-7,18-dolabelladiene

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ChEBI Name (1R,3S,4S,7E,11S,12S,14S)-14-Acetoxy-3,4-epoxy-7,18-dolabelladiene
ChEBI ID CHEBI:69949
Definition A natural product found in Dilophus spiralis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H34O3
Net Charge 0
Average Mass 346.50360
Monoisotopic Mass 346.25079
InChI InChI=1S/C22H34O3/c1-14(2)17-12-19(24-16(4)23)21(5)13-20-22(6,25-20)11-7-8-15(3)9-10-18(17)21/h8,17-20H,1,7,9-13H2,2-6H3/b15-8+/t17-,18+,19+,20+,21-,22+/m1/s1
InChIKey UVAWBGLQQAGQHW-SKMPXITJSA-N
SMILES [H][C@]12C[C@@]3(C)[C@H](C[C@H](C(C)=C)[C@]3([H])CCC(C)=CCC[C@]1(C)O2)OC(C)=O
Metabolite of Species Details
Dilophus sp.ralis (NCBI:txid499621) Dichloromethane and methanol extract of freeze-dried alga 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.
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ChEBI Ontology
Outgoing (1R,3S,4S,7E,11S,12S,14S)-14-Acetoxy-3,4-epoxy-7,18-dolabelladiene (CHEBI:69949) has role metabolite (CHEBI:25212)
(1R,3S,4S,7E,11S,12S,14S)-14-Acetoxy-3,4-epoxy-7,18-dolabelladiene (CHEBI:69949) is a carboxylic ester (CHEBI:33308)
Citation Waiting for Citations Type Source
21190330 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:monocarboxylic acid(CHEBI:25384); ISA:epoxide(CHEBI:32955); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);