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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 > lipid > fatty acid derivative > icosanoid > prostanoid > ad0157

Preferred term

ad0157  

Type

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

Broader concept

charge

  • 0

formula

  • C34H40ClNO9

inchi

  • InChI=1S/C34H40ClNO9/c1-5-8-9-10-13-32-29(43)36-30(44)33(32)27(40)23(20(11-6-2)26(39)34(32,33)35)25(38)24-22-17(4)14-18(28(41)42)15-19(22)16-31(24,45)21(37)12-7-3/h6-7,11-12,17-19,22,24,45H,5,8-10,13-16H2,1-4H3,(H,41,42)(H,36,43,44)/b11-6+,12-7+

inchikey

  • VZROMKZGWLDIGZ-GNXRPPCSSA-N

mass

  • 642.140

monoisotopicmass

  • 641.23916

smiles

  • ClC12C(=O)C(=C(C(=O)C3C(O)(C(=O)/C=C/C)CC4C3C(CC(C(=O)O)C4)C)C(C15C(=O)NC(C25CCCCCC)=O)=O)/C=C/C

subset

  • 2_STAR

synonym EXACT

  • 2-[(E)-but-2-enoyl]-1-[6-chloro-5-hexyl-2,4,7,10-tetraoxo-8-[(E)-prop-1-enyl]-3-azatricyclo[4.4.0.01,5]dec-8-ene-9-carbonyl]-2-hydroxy-7-methyl-1,3,3a,4,5,6,7,7a-octahydroindene-5-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213113

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