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Chemistry, part 3

Content language

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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 > 4-/{[(2s,5s)-5-[(4-hydroxyphenyl)methyl]-2,5-dihydropyrazin-2-yl]methyl/}phenol(1+)

Preferred term

4-/{[(2s,5s)-5-[(4-hydroxyphenyl)methyl]-2,5-dihydropyrazin-2-yl]methyl/}phenol(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C18H19N2O2

inchi

  • InChI=1S/C18H18N2O2/c21-17-5-1-13(2-6-17)9-15-11-20-16(12-19-15)10-14-3-7-18(22)8-4-14/h1-8,11-12,15-16,21-22H,9-10H2/p+1/t15-,16-/m0/s1

inchikey

  • BOTXEKVOVVKESU-HOTGVXAUSA-O

mass

  • 295.361

monoisotopicmass

  • 295.14410

smiles

  • C=1[C@@H](N=C[C@@H]([NH+]1)CC=2C=CC(=CC2)O)CC=3C=CC(=CC3)O

subset

  • 2_STAR

synonym RELATED

  • 4-{[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-2,5-dihydropyrazin-2-yl]methyl}phenol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:145881

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