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CHEBI:208220 - Tricycloalterfurene A

ChEBI IDCHEBI:208220
ChEBI NameTricycloalterfurene A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILESCC(C)=CCC/C(C)=C/[C@H]1C[C@@]2(C)OC3=C(C[C@H]2O1)C(=O)CC[C@@H]3O
InChIInChI=1S/C21H30O4/c1-13(2)6-5-7-14(3)10-15-12-21(4)19(24-15)11-16-17(22)8-9-18(23)20(16)25-21/h6,10,15,18-19,23H,5,7-9,11-12H2,1-4H3/b14-10+/t15-,18-,19+,21+/m0/s1
InChIKeyQCNXEAUXCVROLM-XVSBMABSSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (28836786)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalterfurene A (CHEBI:208220) is a furopyran (CHEBI:74927)
IUPAC Name 
(2R,3aR,5S,9aR)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-5-hydroxy-3a-methyl-3,5,6,7,9,9a-hexahydro-2H-uro[3,2-b]chromen-8-one
Manual XrefsDatabases
62343759ChemSpider