CHEBI:228005 - Citrinovirin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Citrinovirin
ChEBI ID CHEBI:228005
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H30O2
Net Charge 0
Average Mass 290.447
Monoisotopic Mass 290.22458
InChI InChI=1S/C19H30O2/c1-5-6-7-13(3)17-15-10-9-14-12(2)8-11-16(14)19(17,4)21-18(15)20/h9-10,12-17H,5-8,11H2,1-4H3/t12-,13-,14+,15+,16?,17-,19+/m1/s1
InChIKey AAIRYAMDKLMESQ-PIGIOJKNSA-N
SMILES O=C1O[C@]2(C3[C@H]([C@H](C)CC3)C=C[C@H]1[C@H]2[C@@H](CCCC)C)C
Metabolite of Species Details
Trichoderma citrinoviride (NCBI:txid58853) See: PubMed
ChEBI Ontology
Outgoing Citrinovirin (CHEBI:228005) is a γ-lactone (CHEBI:37581)
IUPAC Name
(1S,5R,6R,9S,12R)-12-[(2R)-hexan-2-yl]-1,5-dimethyl-11-oxatricyclo[7.2.1.02,6]dodec-7-en-10-one
Manual Xref Database
58197326 ChemSpider
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