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Concept information

Preferred term

پوتاشلین بی  

Type

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

Broader concept

charge

  • 0

formula

  • C43H70N10O22

inchi

  • InChI=1S/C43H70N10O22/c1-3-4-5-6-7-8-9-10-11-14-27(59)50-30(32(61)42(71)72)39(68)48-23(17-54)34(63)44-16-28(60)45-24(18-55)35(64)47-26(20-57)37(66)52-31(33(62)43(73)74)40(69)51-29(21(2)58)38(67)49-25(19-56)36(65)46-22-13-12-15-53(75)41(22)70/h8-9,21-26,29-33,54-58,61-62,75H,3-7,10-20H2,1-2H3,(H,44,63)(H,45,60)(H,46,65)(H,47,64)(H,48,68)(H,49,67)(H,50,59)(H,51,69)(H,52,66)(H,71,72)(H,73,74)/b9-8-/t21-,22+,23-,24-,25+,26+,29-,30+,31+,32+,33-/m1/s1

inchikey

  • CPRFHUFTLRUMNV-HPBFKGMYSA-N

mass

  • 1079.081

monoisotopicmass

  • 1078.46661

smiles

  • O=C1N(O)CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCC/C=C/CCCCCC)[C@H](O)C(=O)O)CO)CO)CO)[C@@H](O)C(=O)O)[C@H](O)C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221491

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