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Chemistry, part 2

Content language

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Concept information

organooxygen compound > polyketide > tetracyclines > 5a,11a-dehydrooxytetracycline

Preferred term

5a,11a-dehydrooxytetracycline  

Type

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

Broader concept

alt_id

  • CHEBI:81647

charge

  • 0

formula

  • C22H22N2O9

has_role

inchi

  • InChI=1S/C22H22N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,13-14,17,25,27-28,32-33H,1-3H3,(H2,23,31)/t13-,14+,17+,21-,22+/m1/s1

inchikey

  • ROBBXUWFDJWPEM-VIWJHOEESA-N

is_tautomer_of

mass

  • 458.419

monoisotopicmass

  • 458.13253

smiles

  • [C@@]12([C@](C(C=3C(C=4C(=CC=CC4[C@@](C3[C@@H]1O)(C)O)O)=O)=O)(C(C(C(N)=O)=C([C@H]2N(C)C)O)=O)O)[H]

subset

  • 3_STAR

synonym EXACT

  • (4S,4aR,5R,6R,12aS)-4-(dimethylamino)-3,5,6,10,12a-pentahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracene-2-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:134368

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