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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > acetylvalerenolic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > acetylvalerenolic acid

Preferred term

acetylvalerenolic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C17H24O4

inchi

  • InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+

inchikey

  • VBBXZFLAYWAXSK-YRNVUSSQSA-N

mass

  • 292.375

monoisotopicmass

  • 292.16746

smiles

  • O(C1C2C(CCC(C2=C(C1)C)/C=C(/C)/C(O)=O)C)C(=O)C

subset

  • 2_STAR

synonym EXACT

  • (E)-3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172142

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