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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > oxo monocarboxylic acid > dioxo monocarboxylic acid > 3-[(3as,4s,7as)-1,5-dioxo-octahydroinden-4-yl]propanoic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > oxo carboxylic acid > oxo monocarboxylic acid > dioxo monocarboxylic acid > 3-[(3as,4s,7as)-1,5-dioxo-octahydroinden-4-yl]propanoic acid
organooxygen compound > carbonyl compound > ketone > diketone > 3-[(3as,4s,7as)-1,5-dioxo-octahydroinden-4-yl]propanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > diketone > 3-[(3as,4s,7as)-1,5-dioxo-octahydroinden-4-yl]propanoic acid

Preferred term

3-[(3as,4s,7as)-1,5-dioxo-octahydroinden-4-yl]propanoic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C12H16O4

has_parent_hydride

inchi

  • InChI=1S/C12H16O4/c13-10-4-1-7-8(10)2-5-11(14)9(7)3-6-12(15)16/h7-9H,1-6H2,(H,15,16)/t7-,8+,9+/m1/s1

inchikey

  • ZQAUIEVSJAPKIH-VGMNWLOBSA-N

mass

  • 224.25300

monoisotopicmass

  • 224.10486

smiles

  • OC(=O)CC[C@H]1[C@@H]2CCC(=O)[C@H]2CCC1=O

subset

  • 3_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79226

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