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Concept information

organooxygen compound > carbonyl compound > (s)-6,8-dihydroxy-3-(7-hydroxyhept-1-yl)isochroman-7-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > (s)-6,8-dihydroxy-3-(7-hydroxyhept-1-yl)isochroman-7-carboxylic acid

Preferred term

(s)-6,8-dihydroxy-3-(7-hydroxyhept-1-yl)isochroman-7-carboxylic acid  

Type

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

charge

  • 0

formula

  • C17H24O6

inchi

  • InChI=1S/C17H24O6/c18-7-5-3-1-2-4-6-12-8-11-9-14(19)15(17(21)22)16(20)13(11)10-23-12/h9,12,18-20H,1-8,10H2,(H,21,22)/t12-/m0/s1

inchikey

  • LAKJUFWBIQLBFF-LBPRGKRZSA-N

mass

  • 324.373

monoisotopicmass

  • 324.15729

smiles

  • O=C(O)C1=C(O)C2=C(C[C@H](CCCCCCCO)OC2)C=C1O

subset

  • 2_STAR

synonym EXACT

  • (3S)-6,8-dihydroxy-3-(7-hydroxyheptyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198690

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