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CHEBI:220982 - Tricycloalternarene E

ChEBI IDCHEBI:220982
ChEBI NameTricycloalternarene E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESCC(CO)CCCC(C)C1=CC[C@]2(C)OC3=C(C[C@]12O)C(=O)[C@@H](O)CC3
InChIInChI=1S/C21H32O5/c1-13(12-22)5-4-6-14(2)16-9-10-20(3)21(16,25)11-15-18(26-20)8-7-17(23)19(15)24/h9,13-14,17,22-23,25H,4-8,10-12H2,1-3H3/t13?,14?,17-,20-,21-/m0/s1
InChIKeyQIRMUZGKQFREHZ-VASUFEGXSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1002/hlca.200890172)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene E (CHEBI:220982) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aS,7S,9aS)-7,9a-dihydroxy-1-(7-hydroxy-6-methylheptan-2-yl)-3a-methyl-5,6,7,9-tetrahydro-3H-cyclopenta[b]chromen-8-one
Manual XrefsDatabases
78441389ChemSpider