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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > oxo carboxylic acid > cyclopenta[b]pyran-5-octanoic acid, octahydro-.epsilon.,2,6-trioxo-, (4ar,5r,7as)-
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > oxo carboxylic acid > cyclopenta[b]pyran-5-octanoic acid, octahydro-.epsilon.,2,6-trioxo-, (4ar,5r,7as)-

Preferred term

cyclopenta[b]pyran-5-octanoic acid, octahydro-.epsilon.,2,6-trioxo-, (4ar,5r,7as)-  

Type

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

Broader concept

charge

  • 0

formula

  • C16H22O6

inchi

  • InChI=1S/C16H22O6/c17-10(3-1-2-4-15(19)20)5-6-11-12-7-8-16(21)22-14(12)9-13(11)18/h11-12,14H,1-9H2,(H,19,20)/t11-,12-,14+/m1/s1

inchikey

  • KRZCZJUXOKTLEH-BZPMIXESSA-N

mass

  • 310.346

monoisotopicmass

  • 310.14164

smiles

  • O1[C@@]2([C@@]([C@H](C(=O)C2)CCC(=O)CCCCC(O)=O)(CCC1=O)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • 8-[(4aR,5R,7aS)-2,6-dioxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]-6-oxooctanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:180512

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