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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > oligopeptide > talaromin a
organooxygen compound > carboxamide > peptide > oligopeptide > talaromin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > talaromin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > talaromin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > oligopeptide > talaromin a

Preferred term

talaromin a  

Type

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

Broader concept

charge

  • 0

formula

  • C39H53N7O9

inchi

  • InChI=1S/C39H53N7O9/c1-7-21(4)31-39(55)46-18-10-13-29(46)36(52)41-27-12-9-8-11-26(27)34(50)43-30(20(2)3)37(53)42-28(19-24-14-16-25(48)17-15-24)35(51)45-32(23(6)47)38(54)40-22(5)33(49)44-31/h8-9,11-12,14-17,20-23,28-32,47-48H,7,10,13,18-19H2,1-6H3,(H,40,54)(H,41,52)(H,42,53)(H,43,50)(H,44,49)(H,45,51)/t21-,22-,23+,28-,29-,30+,31-,32-/m0/s1

inchikey

  • XBWQUDIMYZXYAF-VBQPTGGPSA-N

mass

  • 763.893

monoisotopicmass

  • 763.39048

smiles

  • O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(N[C@H](C(N2[C@H](C(NC3=C1C=CC=C3)=O)CCC2)=O)[C@H](CC)C)=O)[C@H](O)C)CC4=CC=C(O)C=C4)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (4S,10S,13S,16S,19S,22R)-10-[(2S)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-19-[(4-hydroxyphenyl)methyl]-13-methyl-22-propan-2-yl-2,8,11,14,17,20,23-heptazatricyclo[23.4.0.04,8]nonacosa-1(29),25,27-triene-3,9,12,15,18,21,24-heptone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223842

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