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Concept information

ترکیب اکسیژن ارگانیک > ترکیب کربونیل > کتون > کتون حلقوی > متیل استر پلاتنسیمایسین A1

Preferred term

متیل استر پلاتنسیمایسین A1  

Type

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

charge

  • 0

formula

  • C25H29NO8

has_functional_parent

inchi

  • InChI=1S/C25H29NO8/c1-23(8-7-17(29)26-18-14(27)5-4-13(19(18)30)21(31)33-3)16(28)6-9-25-11-12-10-15(20(23)25)34-24(12,2)22(25)32/h4-6,9,12,15,20,22,27,30,32H,7-8,10-11H2,1-3H3,(H,26,29)/t12-,15+,20+,22+,23-,24-,25-/m1/s1

inchikey

  • DNQXWIUWKPRGGF-OHIQKDTISA-N

mass

  • 471.49970

monoisotopicmass

  • 471.18932

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)OC)c2O)[C@]31[H]

subset

  • 3_STAR

synonym EXACT

  • methyl 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)benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68243

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