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Chemistry, part 3

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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 > aplidic acid b

Preferred term

aplidic acid b  

Type

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

Broader concept

charge

  • 0

formula

  • C30H37NO3

inchi

  • InChI=1S/C30H37NO3/c32-29(31-23-22-24-12-5-4-6-13-24)18-10-9-16-27-25(20-21-26-15-11-17-28(26)27)14-7-2-1-3-8-19-30(33)34/h1-2,4-7,9-10,12-14,16,18,20-21,25-28H,3,8,11,15,17,19,22-23H2,(H,31,32)(H,33,34)/b2-1+,14-7+,16-9+,18-10+/t25-,26+,27+,28-/m1/s1

inchikey

  • QRWPHMHMPOYWGH-JUHMXDIUSA-N

mass

  • 459.630

monoisotopicmass

  • 459.27734

smiles

  • O=C(NCCC1=CC=CC=C1)/C=C/C=C/[C@@H]2[C@H]3[C@@H](CCC3)C=C[C@H]2/C=C/C=C/CCCC(O)=O

subset

  • 2_STAR

synonym EXACT

  • (5E,7E)-8-[(3aR,4R,5R,7aS)-4-[(1E,3E)-5-oxo-5-(2-phenylethylamino)penta-1,3-dienyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]octa-5,7-dienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230653

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