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Concept information

Preferred term

geldanamycin analog  

Type

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

charge

  • 0

formula

  • C28H38N2O9

inchi

  • InChI=1S/C28H38N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,32-33H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7+,15-8-,17-12+

inchikey

  • AFFSZNHAULCEKY-WBYSVDBMSA-N

mass

  • 546.617

monoisotopicmass

  • 546.25773

smiles

  • O(C1CC(CC2=C(O)C(NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C1O)C)C)C)=CC(=O)C2=O)C)C

subset

  • 2_STAR

synonym EXACT

  • [(4Z,6E,10E)-13,22-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,19,20-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22)-pentaen-9-yl] carbamate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189018

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