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Concept information

ترکیب آروماتیک آلی > اتر معطر > آنسامیتوسین P3

Preferred term

آنسامیتوسین P3  

Type

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

charge

  • 0

formula

  • C32H43ClN2O9

inchi

  • InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1

inchikey

  • OPQNCARIZFLNLF-JBHFWYGFSA-N

mass

  • 635.14500

monoisotopicmass

  • 634.26571

smiles

  • [H][C@@]12C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(C)/Cc1cc(OC)c(Cl)c(c1)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@@]1([H])[C@@H]2C

subset

  • 3_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[19.3.1.1(10,14).0(3,5)]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:29515

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