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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > platencin a3 methyl ester
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > platencin a3 methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > secondary carboxamide > platencin a3 methyl ester
organooxygen compound > carboxamide > secondary carboxamide > platencin a3 methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > platencin a3 methyl ester
organooxygen compound > carbonyl compound > ketone > cyclic ketone > platencin a3 methyl ester

Preferred term

platencin a3 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/c1-13-14-6-10-25(22(13)31)11-7-18(28)24(2,17(25)12-14)9-8-19(29)26-20-16(27)5-4-15(21(20)30)23(32)33-3/h4-5,7,11,14,17,22,27,30-31H,1,6,8-10,12H2,2-3H3,(H,26,29)/t14-,17-,22-,24-,25-/m0/s1

inchikey

  • BFEICNQOVVWVIP-CDVZQOEQSA-N

mass

  • 455.50030

monoisotopicmass

  • 455.19440

smiles

  • [H][C@]12CC[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@]3([H])C1)[C@@H](O)C2=C

subset

  • 3_STAR

synonym EXACT

  • methyl 2,4-dihydroxy-3-({3-[(2S,4S,4aS,8S,8aR)-4-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68254

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