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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > ucf-116-c
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > ucf-116-c
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > ucf-116-c
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > ucf-116-c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > n-acyl-amino acid > ucf-116-c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > n-acyl-amino acid > ucf-116-c
organooxygen compound > carboxamide > n-acyl-amino acid > ucf-116-c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > n-acyl-amino acid > ucf-116-c

Preferred term

ucf-116-c  

Type

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

Broader concept

charge

  • 0

formula

  • C34H46N2O8

inchi

  • InChI=1S/C34H46N2O8/c1-7-21(2)33(41)35-24(5)34(42)44-29-17-12-10-8-9-11-16-27(43-6)20-30(38)36-28-19-26(37)18-25(32(28)40)15-13-14-22(3)31(39)23(29)4/h7-12,14,16,18-19,23-24,27,29,31,37,39-40H,13,15,17,20H2,1-6H3,(H,35,41)(H,36,38)/b9-8-,12-10-,16-11?,21-7+,22-14-/t23-,24+,27-,29-,31-/m0/s1

inchikey

  • XCJPPAFCCOSJBT-HKKZGMPRSA-N

mass

  • 610.748

monoisotopicmass

  • 610.32542

smiles

  • O=C1NC2=C(O)C(=CC(=C2)O)CCC=C([C@H](O)[C@@H](C)[C@H](CC=CC=CC=C[C@@H](C1)OC)OC(=O)[C@H](NC(=O)/C(=C/C)/C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(5R,8Z,10Z,13S,14R,15R,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-[[(E)-2-methylbut-2-enoyl]amino]propanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222198

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