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CHEBI:42307 - 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID

Default Structure
ChEBI IDCHEBI:42307
ChEBI Name6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC17H18O4
Net Charge0
Average Mass286.327
Monoisotopic Mass286.12051
SMILES[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1=C(C([H])([H])[H])C(=O)c2c([H])c([H])c([H])c([H])c2C1=O
InChIInChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)
InChIKeyICGRXHWXPCXIKM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID (CHEBI:42307) is a unclassifieds (CHEBI:27189)
Synonym  Source
6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACIDPDBeChem
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