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Chemistry, part 2

Content language

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Concept information

organooxygen compound > polyketide > tetracyclines > (4as,5as,12as)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid

Preferred term

(4as,5as,12as)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H21ClN2O8

inchi

  • InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14?,15?,21-/m0/s1

inchikey

  • GUXHBMASAHGULD-FOMFVERFSA-N

mass

  • 464.860

monoisotopicmass

  • 464.09864

smiles

  • ClC1=C2C(O)[C@]3(C[C@@]4([C@](O)(C(=O)C3=C(O)C2=C(O)C=C1)C(O)=C(C(=O)C4N(C)C)C(=O)N)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (4aS,5aS,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:195583

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