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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > bacillibactin f
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > bacillibactin f
organooxygen compound > ester > lactone > cyclodepsipeptide > bacillibactin f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > bacillibactin f
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > bacillibactin f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > depsipeptide > cyclodepsipeptide > bacillibactin f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > bacillibactin f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > bacillibactin f

Preferred term

bacillibactin f  

Type

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

Broader concept

charge

  • 0

formula

  • C39H42N6O16

inchi

  • InChI=1S/C39H42N6O16/c1-18-29(43-26(48)15-40-34(53)21-9-5-4-6-10-21)37(56)60-19(2)30(44-27(49)16-41-35(54)22-11-7-13-24(46)32(22)51)39(58)61-20(3)31(38(57)59-18)45-28(50)17-42-36(55)23-12-8-14-25(47)33(23)52/h4-14,18-20,29-31,46-47,51-52H,15-17H2,1-3H3,(H,40,53)(H,41,54)(H,42,55)(H,43,48)(H,44,49)(H,45,50)/t18-,19-,20-,29+,30+,31+/m1/s1

inchikey

  • CCPWZQKXETYNMM-ZGWIECESSA-N

mass

  • 850.791

monoisotopicmass

  • 850.26573

smiles

  • O=C1O[C@@H]([C@H](NC(=O)CNC(=O)C2=C(O)C(O)=CC=C2)C(=O)O[C@H](C)[C@@H](C(O[C@@H]([C@@H]1NC(=O)CNC(=O)C3=C(O)C(O)=CC=C3)C)=O)NC(=O)CNC(=O)C4=CC=CC=C4)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222430

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