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Concept information

Preferred term

erinacerin q  

Type

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

Broader concept

charge

  • 0

formula

  • C26H29NO5

inchi

  • InChI=1S/C26H29NO5/c1-17(7-6-8-18(2)26(31)32)11-12-20-23(28)15-21-22(24(20)29)16-27(25(21)30)14-13-19-9-4-3-5-10-19/h3-5,8-11,15,28-29H,6-7,12-14,16H2,1-2H3,(H,31,32)/b17-11+,18-8+

inchikey

  • RCSZDHOTYXTJOY-HVIJAGLHSA-N

mass

  • 435.520

monoisotopicmass

  • 435.20457

smiles

  • O=C1N(CC2=C1C=C(O)C(=C2O)C/C=C(/CC/C=C(/C(=O)O)/C)/C)CCC3=CC=CC=C3

subset

  • 2_STAR

synonym EXACT

  • (2E,6E)-8-[4,6-dihydroxy-1-oxo-2-(2-phenylethyl)-3H-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209082

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