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CHEBI:209180 - 2H-(2E)-tricycloalternarene 12a

ChEBI IDCHEBI:209180
ChEBI Name2H-(2E)-tricycloalternarene 12a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O5
Net Charge0
Average Mass390.520
Monoisotopic Mass390.24062
SMILESCC(=O)OCC(C)CCCC(C)C1=CCC2(C)OC3=C(CC12)C(=O)CCC3O
InChIInChI=1S/C23H34O5/c1-14(13-27-16(3)24)6-5-7-15(2)17-10-11-23(4)19(17)12-18-20(25)8-9-21(26)22(18)28-23/h10,14-15,19,21,26H,5-9,11-13H2,1-4H3
InChIKeyCFURGHSMIFHOMJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (30360544)
ChEBI Ontology
Outgoing Relation(s)
2H-(2E)-tricycloalternarene 12a (CHEBI:209180) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[6-(5-hydroxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-1-yl)-2-methylheptyl] acetate
Manual XrefsDatabases
71048756ChemSpider