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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > barbatolic acid
... > organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > barbatolic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > barbatolic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > barbatolic acid
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > barbatolic acid
organic aromatic compound > phenols > 4-hydroxybenzoate ester > barbatolic acid

Preferred term

barbatolic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C18H14O10

inchi

  • InChI=1S/C18H14O10/c1-7-2-11(21)9(4-19)15(23)13(7)18(27)28-6-8-3-12(22)10(5-20)16(24)14(8)17(25)26/h2-5,21-24H,6H2,1H3,(H,25,26)

inchikey

  • QAUIZXBSXBMGCF-UHFFFAOYSA-N

mass

  • 390.298

monoisotopicmass

  • 390.059

smiles

  • O=C(OCC1=C(C(O)=C(C=O)C(=C1)O)C(=O)O)C2=C(O)C(=C(O)C=C2C)C=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:144198

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