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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > phenylalanine derivative > smtp-4

Preferred term

smtp-4  

Type

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

Broader concept

charge

  • 0

formula

  • C32H39NO6

inchi

  • InChI=1S/C32H39NO6/c1-20(2)10-8-11-21(3)12-9-15-32(4)28(35)18-24-27(34)17-23-25(29(24)39-32)19-33(30(23)36)26(31(37)38)16-22-13-6-5-7-14-22/h5-7,10,12-14,17,26,28,34-35H,8-9,11,15-16,18-19H2,1-4H3,(H,37,38)/b21-12+

inchikey

  • HSOVHMPKFQKPSJ-CIAFOILYSA-N

mass

  • 533.665

monoisotopicmass

  • 533.27774

smiles

  • O=C1N(C(C(=O)O)CC2=CC=CC=C2)CC3=C1C=C(O)C4=C3OC(C(O)C4)(CC/C=C(/CCC=C(C)C)/C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-phenylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213353

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