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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > petasiformin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > petasiformin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > petasiformin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > petasiformin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > cinnamic acids > petasiformin a

Preferred term

petasiformin a  

Type

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

Broader concept

charge

  • 0

formula

  • C14H16O6S

has_role

inchi

  • InChI=1S/C14H16O6S/c1-10(2)3-6-12-9-11(5-8-14(15)16)4-7-13(12)20-21(17,18)19/h3-5,7-9H,6H2,1-2H3,(H,15,16)(H,17,18,19)/b8-5+

inchikey

  • AVUZOEYGJPUQDM-VMPITWQZSA-N

mass

  • 312.33800

monoisotopicmass

  • 312.06676

smiles

  • CC(C)=CCc1cc(ccc1OS(O)(=O)=O)/C=C/C(O)=O

subset

  • 2_STAR

synonym RELATED

  • 3-[3-(3-Methyl-2-buten-1-yl)-4-(sulfooxy)phenyl]acrylic acid
  • 4-O-Sulfonyl-3-prenyl-p-coumaric acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66738

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