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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 > erinacerin k

Preferred term

erinacerin k  

Type

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

Broader concept

charge

  • 0

formula

  • C25H27NO7

inchi

  • InChI=1S/C25H27NO7/c1-15(9-11-22(28)33-2)8-10-17-21(27)13-18-19(23(17)29)14-26(24(18)30)20(25(31)32)12-16-6-4-3-5-7-16/h3-8,13,20,27,29H,9-12,14H2,1-2H3,(H,31,32)/b15-8+/t20-/m0/s1

inchikey

  • PFCGJFIJZKYTPM-FWAYRLMKSA-N

mass

  • 453.491

monoisotopicmass

  • 453.17875

smiles

  • O=C1N([C@H](C(=O)O)CC2=CC=CC=C2)CC3=C1C=C(O)C(=C3O)C/C=C(/CCC(=O)OC)/C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[5,7-dihydroxy-6-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206386

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