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CHEBI:208080 - Trichodermolide

ChEBI IDCHEBI:208080
ChEBI NameTrichodermolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O5
Net Charge0
Average Mass404.547
Monoisotopic Mass404.25627
SMILESCCCCCC(=O)CC1=C(C)C(=O)[C@@]2(C)OC(=O)[C@]1(C)[C@H]2CC(=O)CCCCC
InChIInChI=1S/C24H36O5/c1-6-8-10-12-17(25)14-19-16(3)21(27)24(5)20(23(19,4)22(28)29-24)15-18(26)13-11-9-7-2/h20H,6-15H2,1-5H3/t20-,23+,24+/m1/s1
InChIKeyZSFDLWIESMGFDS-QDSKXPNFSA-N
Species of MetaboliteComponentSourceComments
Trichoderma longibrachiatum (ncbitaxon:5548) - DOI (10.1139/v96-042)
ChEBI Ontology
Outgoing Relation(s)
Trichodermolide (CHEBI:208080) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,5S,8R)-1,3,5-trimethyl-2,8-bis(2-oxoheptyl)-6-oxabicyclo[3.2.1]oct-2-ene-4,7-dione
Manual XrefsDatabases
78440234ChemSpider