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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > iakyricidin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > iakyricidin a

Preferred term

iakyricidin a  

Type

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

Broader concept

charge

  • 0

formula

  • C27H39NO5

inchi

  • InChI=1S/C27H39NO5/c1-16(10-11-23-22(7)25(31)26(32-8)27(28-23)33-9)12-17(2)13-18(3)14-19(4)24(30)20(5)15-21(6)29/h10,13-15,19,24,30H,11-12H2,1-9H3,(H,28,31)/b16-10+,17-13+,18-14+,20-15+/t19-,24-/m1/s1

inchikey

  • OUZSOIHNBSIAMC-GGVCGTSCSA-N

mass

  • 457.611

monoisotopicmass

  • 457.28282

smiles

  • O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C/C(=C/C(=C/[C@H]([C@@H](O)/C(=C/C(=O)C)/C)C)/C)/C)/C

subset

  • 2_STAR

synonym EXACT

  • 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,5,7,9,11-pentamethyl-13-oxotetradeca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226032

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