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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 > carboxamide > monocarboxylic acid amide > platensimycin a1
organooxygen compound > carboxamide > monocarboxylic acid amide > platensimycin a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > platensimycin a1
organooxygen compound > carbonyl compound > ketone > cyclic ketone > platensimycin a1
... > 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 > dihydroxybenzoic acid > platensimycin a1
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > dihydroxybenzoic acid > platensimycin a1
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > dihydroxybenzoic acid > platensimycin a1
organic aromatic compound > phenols > hydroxybenzoic acid > dihydroxybenzoic acid > platensimycin a1
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > dihydroxybenzoic acid > platensimycin a1
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > dihydroxybenzoic acid > platensimycin a1
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > dihydroxybenzoic acid > platensimycin a1
... > 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 > dihydroxybenzoic acid > platensimycin a1
... > organic aromatic compound > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > dihydroxybenzoic acid > platensimycin a1

Preferred term

platensimycin a1  

Type

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

Broader concept

charge

  • 0

formula

  • C24H27NO8

has_functional_parent

has_role

inchi

  • InChI=1S/C24H27NO8/c1-22(7-6-16(28)25-17-13(26)4-3-12(18(17)29)20(30)31)15(27)5-8-24-10-11-9-14(19(22)24)33-23(11,2)21(24)32/h3-5,8,11,14,19,21,26,29,32H,6-7,9-10H2,1-2H3,(H,25,28)(H,30,31)/t11-,14+,19+,21+,22-,23-,24-/m1/s1

inchikey

  • PATOIDCKGDRHNH-XLBJIJRQSA-N

mass

  • 457.47310

monoisotopicmass

  • 457.17367

smiles

  • [H][C@]12C[C@]3([H])O[C@@]1(C)[C@H](O)[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(O)=O)c2O)[C@]31[H]

subset

  • 3_STAR

synonym EXACT

  • 2,4-dihydroxy-3-({3-[(1S,4aS,5R,6R,7S,9S,9aR)-5-hydroxy-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)benzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68242

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