EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215002 - Tricycloalternarene L

Default Structure
ChEBI IDCHEBI:215002
ChEBI NameTricycloalternarene L
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)CC[C@@H]3O
InChIInChI=1S/C18H24O5/c1-10(3-6-16(21)22)11-7-8-18(2)13(11)9-12-14(19)4-5-15(20)17(12)23-18/h7,10,13,15,20H,3-6,8-9H2,1-2H3,(H,21,22)/t10?,13-,15-,18+/m0/s1
InChIKeyWJQWOEGUVPIDSQ-GFQZTYJBSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1016/j.phytol.2017.12.009)
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 L (CHEBI:215002) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
4-[(3aR,5S,9aS)-5-hydroxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-1-yl]pentanoic acid
Manual XrefsDatabases
65328931ChemSpider