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CHEBI:202972 - Tricycloalternarene 7b

ChEBI IDCHEBI:202972
ChEBI NameTricycloalternarene 7b
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCOC1CCC2=C(CC3C(C(C)CCC(O)C(C)(C)O)=CCC3(C)O2)C1=O
InChIInChI=1S/C22H34O5/c1-13(6-9-19(23)21(2,3)25)14-10-11-22(4)16(14)12-15-17(27-22)7-8-18(26-5)20(15)24/h10,13,16,18-19,23,25H,6-9,11-12H2,1-5H3
InChIKeyUWIMHIVGWQTLQY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(99)00275-7)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 7b (CHEBI:202972) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
1-(5,6-dihydroxy-6-methylheptan-2-yl)-7-methoxy-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
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78444031ChemSpider