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Concept information

Preferred term

1 آلفا متیل 5 آلفا اندروستان 3 آلفا اول 17 یک گلوکورونید  

Type

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

charge

  • 0

formula

  • C26H40O8

inchi

  • InChI=1S/C26H40O8/c1-12-10-14(33-24-21(30)19(28)20(29)22(34-24)23(31)32)11-13-4-5-15-16-6-7-18(27)25(16,2)9-8-17(15)26(12,13)3/h12-17,19-22,24,28-30H,4-11H2,1-3H3,(H,31,32)/t12-,13-,14+,15-,16-,17-,19-,20-,21+,22-,24+,25-,26-/m0/s1

inchikey

  • RRKQXBKNDQFCNC-MTGPGUOHSA-N

mass

  • 480.598

monoisotopicmass

  • 480.27232

smiles

  • C[C@H]1C[C@H](C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6R)-6-{[(3aS,3bR,5aS,7R,9S,9aS,9bS,11aS)-9,9a,11a-trimethyl-1-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190949

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