skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > platencin a2 methyl ester
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > platencin a2 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 a2 methyl ester
organooxygen compound > carboxamide > secondary carboxamide > platencin a2 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 a2 methyl ester
organooxygen compound > carbonyl compound > ketone > cyclic ketone > platencin a2 methyl ester

Preferred term

platencin a2 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/c1-13-11-25-9-6-19(29)24(2,18(25)10-15(13)17(28)12-25)8-7-20(30)26-21-16(27)5-4-14(22(21)31)23(32)33-3/h4-6,9,15,17-18,27-28,31H,1,7-8,10-12H2,2-3H3,(H,26,30)/t15-,17-,18-,24-,25+/m0/s1

inchikey

  • AWKBYGDVFUXVBB-OUBSXGCGSA-N

mass

  • 455.50030

monoisotopicmass

  • 455.19440

smiles

  • [H][C@@]12C[C@@]3([H])[C@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)C(=O)C=C[C@]3(C[C@@H]1O)CC2=C

subset

  • 3_STAR

synonym EXACT

  • methyl 2,4-dihydroxy-3-({3-[(2S,3S,4aR,8S,8aR)-3-hydroxy-8-methyl-10-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:68252

Download this concept:

RDF/XML TURTLE JSON-LD