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CHEBI:205365 - CJ-12,373

ChEBI IDCHEBI:205365
ChEBI NameCJ-12,373
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESCCCCCCC[C@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@@H](O)O1
InChIInChI=1S/C17H24O6/c1-2-3-4-5-6-7-11-8-10-9-12(18)14(16(20)21)15(19)13(10)17(22)23-11/h9,11,17-19,22H,2-8H2,1H3,(H,20,21)/t11-,17-/m0/s1
InChIKeyPTQJWIMJHPBXTF-GTNSWQLSSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (9544930)
ChEBI Ontology
Outgoing Relation(s)
CJ-12,373 (CHEBI:205365) is a benzenes (CHEBI:22712)
CJ-12,373 (CHEBI:205365) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1S,3S)-3-heptyl-1,6,8-trihydroxy-3,4-dihydro-1H-isochromene-7-carboxylic acid
Manual XrefsDatabases
8102903ChemSpider