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CHEBI:222598 - Tricycloalternarene 1a

ChEBI IDCHEBI:222598
ChEBI NameTricycloalternarene 1a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESCC(CO)CCCC(C)C1=CCC2(C)OC3=C(CC12)C(=O)CCC3O
InChIInChI=1S/C21H32O4/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/h9,13-14,17,19,22,24H,4-8,10-12H2,1-3H3
InChIKeyRLDBNHGDPQOYER-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(97)00278-1)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 1a (CHEBI:222598) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-hydroxy-1-(7-hydroxy-6-methylheptan-2-yl)-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
78443625ChemSpider