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CHEBI:209183 - Tricycloalternarene A

ChEBI IDCHEBI:209183
ChEBI NameTricycloalternarene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O5
Net Charge0
Average Mass320.385
Monoisotopic Mass320.16237
SMILESCC(CCC(=O)O)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3
InChIInChI=1S/C18H24O5/c1-10(3-6-16(20)21)11-7-8-18(2)13(11)9-12-15(23-18)5-4-14(19)17(12)22/h7,10,13-14,19H,3-6,8-9H2,1-2H3,(H,20,21)/t10?,13-,14+,18+/m1/s1
InChIKeyGFKPPJZEOXIRFX-ILLMFOQYSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1002/hlca.200890172)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene A (CHEBI:209183) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
4-[(3aS,7S,9aR)-7-hydroxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-1-yl]pentanoic acid
Manual XrefsDatabases
28285552ChemSpider