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CHEBI:215195 - Tricycloalternarene J

ChEBI IDCHEBI:215195
ChEBI NameTricycloalternarene J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILESCC(C)=CCCC(C)=C[C@H]1CO[C@H]2CC3=C(CC[C@@H](O)C3=O)O[C@@]21C
InChIInChI=1S/C21H30O4/c1-13(2)6-5-7-14(3)10-15-12-24-19-11-16-18(25-21(15,19)4)9-8-17(22)20(16)23/h6,10,15,17,19,22H,5,7-9,11-12H2,1-4H3/t15-,17+,19-,21+/m0/s1
InChIKeyUUPIBODGBDUNLA-YYKUARIBSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - PubMed (25402226)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene J (CHEBI:215195) is a furopyran (CHEBI:74927)
IUPAC Name 
(3S,3aR,7R,9aS)-3-(2,6-dimethylhepta-1,5-dienyl)-7-hydroxy-3a-methyl-3,5,6,7,9,9a-hexahydro-2H-uro[3,2-b]chromen-8-one
Manual XrefsDatabases
78441139ChemSpider