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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > (2e,6e,12e)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > (2e,6e,12e)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > (2e,6e,12e)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > long-chain fatty acid > (2e,6e,12e)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid

Preferred term

(2e,6e,12e)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H43NO9

inchi

  • InChI=1S/C27H43NO9/c1-17(21(29)11-9-10-20(15-23(28)30)16-25(33)34)14-18(2)26(35)19(3)27(36)22(37-4)12-7-5-6-8-13-24(31)32/h7-8,12-14,17,19-20,22,26-27,35-36H,5-6,9-11,15-16H2,1-4H3,(H2,28,30)(H,31,32)(H,33,34)/b12-7+,13-8+,18-14+

inchikey

  • IZBWUVKNXOGJSA-MNOLRWOYSA-N

mass

  • 525.639

monoisotopicmass

  • 525.29378

smiles

  • OC(C(C(O)/C(=C/C(C(=O)CCCC(CC(=O)N)CC(O)=O)C)/C)C)C(OC)/C=C/CC/C=C/C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181982

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