CHEBI:215002 - Tricycloalternarene L

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ChEBI Name Tricycloalternarene L
ChEBI ID CHEBI:215002
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H24O5
Net Charge 0
Average Mass 320.385
Monoisotopic Mass 320.16237
InChI InChI=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
InChIKey WJQWOEGUVPIDSQ-GFQZTYJBSA-N
SMILES O=C1C2=C(O[C@@]3(CC=C([C@@H]3C2)C(CCC(=O)O)C)C)[C@@H](O)CC1
Metabolite of Species Details
Alternaria (NCBI:txid5598) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
65328931 ChemSpider
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