CHEBI:69951 - rel-(1R,3Z,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene

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ChEBI Name rel-(1R,3Z,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene
ChEBI ID CHEBI:69951
Definition A natural product found in Dilophus spiralis.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H30O2
Net Charge 0
Average Mass 302.45100
Monoisotopic Mass 302.22458
InChI InChI=1S/C20H30O2/c1-13(2)15-12-17(21)19(4)10-8-14(3)6-7-18-20(5,22-18)11-9-16(15)19/h8,15-16,18H,1,6-7,9-12H2,2-5H3/b14-8-/t15-,16+,18+,19-,20+/m1/s1
InChIKey BGCBFCPMURPDPJ-WIFYINSBSA-N
SMILES [H][C@]12CC\C(C)=C/C[C@@]3(C)C(=O)C[C@H](C(C)=C)[C@]3([H])CC[C@]1(C)O2
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 rel-(1R,3Z,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene (CHEBI:69951) has role metabolite (CHEBI:25212)
rel-(1R,3Z,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene (CHEBI:69951) is a diterpenoid (CHEBI:23849)
Citation Waiting for Citations Type Source
21190330 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:ketone(CHEBI:17087); ISA:epoxide(CHEBI:32955); ISA:ether(CHEBI:25698);