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CHEBI:207334 - Tricycloalternarene 8a

ChEBI IDCHEBI:207334
ChEBI NameTricycloalternarene 8a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILESC/C(=C/C/C=C(\C)CO)C1CCC2(C)OC3=C(CC12)C(=O)CCC3O
InChIInChI=1S/C21H30O4/c1-13(12-22)5-4-6-14(2)15-9-10-21(3)17(15)11-16-18(23)7-8-19(24)20(16)25-21/h5-6,15,17,19,22,24H,4,7-12H2,1-3H3/b13-5+,14-6-
InChIKeyLTAKJWJITPBCJA-LSMSNJBFSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(99)00275-7)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 8a (CHEBI:207334) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-hydroxy-1-[(2Z,5E)-7-hydroxy-6-methylhepta-2,5-dien-2-yl]-3a-methyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
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78443658ChemSpider