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CHEBI:216574 - Tricycloalternarene 7a

ChEBI IDCHEBI:216574
ChEBI NameTricycloalternarene 7a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCOC1CCC(=O)C2=C1OC1(C)CC=C(C(C)CCC(O)C(C)(C)O)C1C2
InChIInChI=1S/C22H34O5/c1-13(6-9-19(24)21(2,3)25)14-10-11-22(4)16(14)12-15-17(23)7-8-18(26-5)20(15)27-22/h10,13,16,18-19,24-25H,6-9,11-12H2,1-5H3
InChIKeyYXQFYLGTHBJWPD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(99)00275-7)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 7a (CHEBI:216574) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
1-(5,6-dihydroxy-6-methylheptan-2-yl)-5-methoxy-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
78444181ChemSpider