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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 2-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > 2-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > 2-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > phenylacetic acids > 2-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid

Preferred term

2-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid  

Type

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

charge

  • 0

formula

  • C13H16O5

inchi

  • InChI=1S/C13H16O5/c1-7(2)3-4-8-10(14)6-11(15)9(13(8)18)5-12(16)17/h3,6,14-15,18H,4-5H2,1-2H3,(H,16,17)

inchikey

  • JGBMKZWTRNSXQV-UHFFFAOYSA-N

mass

  • 252.266

monoisotopicmass

  • 252.09977

smiles

  • OC1=C(CC=C(C)C)C(O)=CC(O)=C1CC(O)=O

subset

  • 2_STAR

synonym EXACT

  • 2-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]acetic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192122

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