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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 > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > indol-3-yl carboxylic acid > indole-3-acetic acids > [(2s,3s,5r,6r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1h-indol-3-yl)acetate
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > indol-3-yl carboxylic acid > indole-3-acetic acids > [(2s,3s,5r,6r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1h-indol-3-yl)acetate
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > indol-3-yl carboxylic acid > indole-3-acetic acids > [(2s,3s,5r,6r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1h-indol-3-yl)acetate
... > organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > indol-3-yl carboxylic acid > indole-3-acetic acids > [(2s,3s,5r,6r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1h-indol-3-yl)acetate
... > organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > indol-3-yl carboxylic acid > indole-3-acetic acids > [(2s,3s,5r,6r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1h-indol-3-yl)acetate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > indol-3-yl carboxylic acid > indole-3-acetic acids > [(2s,3s,5r,6r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1h-indol-3-yl)acetate
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > indol-3-yl carboxylic acid > indole-3-acetic acids > [(2s,3s,5r,6r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1h-indol-3-yl)acetate

Preferred term

[(2s,3s,5r,6r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1h-indol-3-yl)acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C22H29NO12

inchi

  • InChI=1S/C22H29NO12/c24-7-11-13(26)14(27)19(32)22(33-11)35-21-17(30)15(28)20(16(29)18(21)31)34-12(25)5-8-6-23-10-4-2-1-3-9(8)10/h1-4,6,11,13-24,26-32H,5,7H2/t11-,13+,14+,15-,16+,17-,18+,19-,20?,21?,22+/m1/s1

inchikey

  • ZBIDXXVRKIWIKP-BLWHGSIISA-N

mass

  • 499.469

monoisotopicmass

  • 499.16898

smiles

  • O(C1[C@H](O)[C@@H](O)C(OC(=O)CC=2C=3C(NC2)=CC=CC3)[C@@H](O)[C@@H]1O)[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO

subset

  • 2_STAR

synonym EXACT

  • [(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] 2-(1H-indol-3-yl)acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182762

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