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Concept information

Preferred term

ralstoamide b  

Type

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

Broader concept

charge

  • 0

formula

  • C42H67N7O11

inchi

  • InChI=1S/C42H67N7O11/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(43)37(54)42(59)48-34-28(4)60-33(52)23-24-44-38(55)26(2)46-32(51)25-45-39(56)27(3)47-41(58)35(49-40(34)57)36(53)29-19-21-30(50)22-20-29/h19-22,26,28,31,34-37,50,53-54H,3,5-18,23-25,43H2,1-2,4H3,(H,44,55)(H,45,56)(H,46,51)(H,47,58)(H,48,59)(H,49,57)/t26-,28+,31-,34-,35-,36-,37-/m0/s1

inchikey

  • SGFGVMAKFYEBQJ-SKZCZBOXSA-N

mass

  • 846.036

monoisotopicmass

  • 845.48986

smiles

  • O=C1NCC(=O)N[C@H](C(=O)NCCC(=O)O[C@@H]([C@@H](C(N[C@H](C(NC1=C)=O)[C@@H](O)C2=CC=C(O)C=C2)=O)NC(=O)[C@@H](O)[C@@H](N)CCCCCCCCCCCCCCC)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3S)-3-amino-2-hydroxy-N-[(2R,3S,6S,15S)-6-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-2,15-dimethyl-9-methylidene-4,7,10,13,16,20-hexaoxo-1-oxa-5,8,11,14,17-pentazacycloicos-3-yl]octadecanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216196

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