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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > (3r)-5,6-dihydroxy-3-[(4s)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
organic aromatic compound > phenols > hydroxybenzoic acid > (3r)-5,6-dihydroxy-3-[(4s)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (3r)-5,6-dihydroxy-3-[(4s)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (3r)-5,6-dihydroxy-3-[(4s)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
organic aromatic compound > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (3r)-5,6-dihydroxy-3-[(4s)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one

Preferred term

(3r)-5,6-dihydroxy-3-[(4s)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one  

Type

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

Broader concept

charge

  • 0

formula

  • C14H18O5

inchi

  • InChI=1S/C14H18O5/c1-8(15)3-2-4-9-7-11-10(14(18)19-9)5-6-12(16)13(11)17/h5-6,8-9,15-17H,2-4,7H2,1H3/t8-,9+/m0/s1

inchikey

  • NBFFCYBLWDXBRR-DTWKUNHWSA-N

mass

  • 266.293

monoisotopicmass

  • 266.11542

smiles

  • O=C1O[C@@H](CC2=C1C=CC(=C2O)O)CCC[C@@H](O)C

subset

  • 2_STAR

synonym EXACT

  • (3R)-5,6-dihydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205594

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