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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > hydroxybenzoic acid > (3r,4r)-4,8-dihydroxy-3-((r)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > (3r,4r)-4,8-dihydroxy-3-((r)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > (3r,4r)-4,8-dihydroxy-3-((r)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
organic aromatic compound > phenols > hydroxybenzoic acid > (3r,4r)-4,8-dihydroxy-3-((r)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (3r,4r)-4,8-dihydroxy-3-((r)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (3r,4r)-4,8-dihydroxy-3-((r)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (3r,4r)-4,8-dihydroxy-3-((r)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (3r,4r)-4,8-dihydroxy-3-((r)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
organic aromatic compound > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (3r,4r)-4,8-dihydroxy-3-((r)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one

Preferred term

(3r,4r)-4,8-dihydroxy-3-((r)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one  

Type

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

Broader concept

charge

  • 0

formula

  • C16H22O7

has_role

inchi

  • InChI=1S/C16H22O7/c1-4-5-8(17)6-10-13(18)9-7-11(21-2)15(22-3)14(19)12(9)16(20)23-10/h7-8,10,13,17-19H,4-6H2,1-3H3/t8-,10-,13-/m1/s1

inchikey

  • YVVVQBLWJYKSII-ZDSQKVDBSA-N

mass

  • 326.34170

monoisotopicmass

  • 326.13655

smiles

  • CCC[C@@H](O)C[C@H]1OC(=O)c2c(O)c(OC)c(OC)cc2[C@H]1O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70152

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