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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 > monocarboxylic acid amide > platensimycin methyl ester
organooxygen compound > carboxamide > monocarboxylic acid amide > platensimycin methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > platensimycin methyl ester
organooxygen compound > ester > carboxylic ester > benzoate ester > platensimycin methyl ester
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > platensimycin methyl ester
organooxygen compound > carbonyl compound > ketone > cyclic ketone > platensimycin methyl ester

Preferred term

platensimycin methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C25H29NO7

has_functional_parent

has_role

inchi

  • InChI=1S/C25H29NO7/c1-23(8-7-18(29)26-19-15(27)5-4-14(20(19)30)22(31)32-3)17(28)6-9-25-11-13-10-16(21(23)25)33-24(13,2)12-25/h4-6,9,13,16,21,27,30H,7-8,10-12H2,1-3H3,(H,26,29)/t13-,16+,21+,23-,24+,25+/m1/s1

inchikey

  • BLKSEVPCJYYCLH-USZGVGCCSA-N

mass

  • 455.50030

monoisotopicmass

  • 455.19440

smiles

  • [H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)OC)c2O)[C@]31[H]

subset

  • 3_STAR

synonym EXACT

  • methyl 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68237

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