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Concept information

Preferred term

erinacerin a  

Type

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

Broader concept

charge

  • 0

formula

  • C27H31NO4

inchi

  • InChI=1S/C27H31NO4/c1-18(2)14-20(29)16-27(3)12-10-21-24(31-4)15-22-23(25(21)32-27)17-28(26(22)30)13-11-19-8-6-5-7-9-19/h5-9,14-15H,10-13,16-17H2,1-4H3/t27-/m1/s1

inchikey

  • VSETXQQLPHMGQF-HHHXNRCGSA-N

mass

  • 433.548

monoisotopicmass

  • 433.22531

smiles

  • O=C1N(CC2=C1C=C(OC)C3=C2O[C@](CC3)(CC(=O)C=C(C)C)C)CCC4=CC=CC=C4

subset

  • 2_STAR

synonym EXACT

  • 5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-8-(2-phenylethyl)-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199425

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