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Concept information

Preferred term

ansamitocin p 3'  

Type

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

charge

  • 0

formula

  • C32H43ClN2O9

inchi

  • InChI=1S/C32H43ClN2O9/c1-8-10-27(37)43-25-16-26(36)35(5)21-14-20(15-22(40-6)28(21)33)13-18(2)11-9-12-24(41-7)32(39)17-23(42-30(38)34-32)19(3)29-31(25,4)44-29/h9,11-12,14-15,19,23-25,29,39H,8,10,13,16-17H2,1-7H3,(H,34,38)

inchikey

  • WLKHTIAFMSHJLG-UHFFFAOYSA-N

mass

  • 635.150

monoisotopicmass

  • 634.26571

smiles

  • ClC1=C(OC)C=C2CC(=CC=CC(OC)C3(O)NC(OC(C(C4C(C(CC(N(C1=C2)C)=O)OC(=O)CCC)(O4)C)C)C3)=O)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] butanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201535

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