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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > 3-hydroxy-2,2,4-trimethyl-5-phenylpent-4-enoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > 3-hydroxy-2,2,4-trimethyl-5-phenylpent-4-enoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > 3-hydroxy-2,2,4-trimethyl-5-phenylpent-4-enoic acid

Preferred term

3-hydroxy-2,2,4-trimethyl-5-phenylpent-4-enoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C14H18O3

inchi

  • InChI=1S/C14H18O3/c1-10(9-11-7-5-4-6-8-11)12(15)14(2,3)13(16)17/h4-9,12,15H,1-3H3,(H,16,17)/b10-9+/t12-/m1/s1

inchikey

  • MRLQOAFAPRLGIF-BZYZDCJZSA-N

mass

  • 234.295

monoisotopicmass

  • 234.12559

smiles

  • O=C(O)C([C@H](O)/C(=C/C1=CC=CC=C1)/C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (E,3R)-3-hydroxy-2,2,4-trimethyl-5-phenylpent-4-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226016

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