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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (1s,3s)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)isochroman-7-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (1s,3s)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)isochroman-7-carboxylic acid
organooxygen compound > carbonyl compound > (1s,3s)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)isochroman-7-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > (1s,3s)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)isochroman-7-carboxylic acid

Preferred term

(1s,3s)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)isochroman-7-carboxylic acid  

Type

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

charge

  • 0

formula

  • C17H24O7

inchi

  • InChI=1S/C17H24O7/c18-7-5-3-1-2-4-6-11-8-10-9-12(19)14(16(21)22)15(20)13(10)17(23)24-11/h9,11,17-20,23H,1-8H2,(H,21,22)/t11-,17-/m0/s1

inchikey

  • XYOMNNRURKEWJB-GTNSWQLSSA-N

mass

  • 340.372

monoisotopicmass

  • 340.15220

smiles

  • O=C(O)C1=C(O)C2=C(C[C@H](CCCCCCCO)O[C@@H]2O)C=C1O

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209107

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