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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > botrytisic acid b
... > 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 > fatty acid > medium-chain fatty acid > botrytisic acid b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > botrytisic acid b
... > 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 > fatty acid > medium-chain fatty acid > botrytisic acid b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > medium-chain fatty acid > botrytisic acid b

Preferred term

botrytisic acid b  

Type

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

Broader concept

charge

  • 0

formula

  • C15H18O4

inchi

  • InChI=1S/C15H18O4/c1-10(9-12(17)18)5-7-15(4)8-6-11(16)14(2,3)13(15)19/h5-9H,1-4H3,(H,17,18)/b7-5+,10-9-/t15-/m0/s1

inchikey

  • ADCHZDGXZCLAQL-AWNMEBKCSA-N

mass

  • 262.305

monoisotopicmass

  • 262.12051

smiles

  • O=C1C=C[C@@](/C=C/C(=C/C(=O)O)/C)(C)C(C1(C)C)=O

subset

  • 2_STAR

synonym EXACT

  • (2Z,4E)-3-methyl-5-(1,5,5-trimethyl-4,6-dioxocyclohex-2-en-1-yl)penta-2,4-dienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222111

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