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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 > eudesmane sesquiterpenoid > 3-oxo-1,4,11(13)-eudesmatrien-12-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > eudesmane sesquiterpenoid > 3-oxo-1,4,11(13)-eudesmatrien-12-oic acid

Preferred term

3-oxo-1,4,11(13)-eudesmatrien-12-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C15H18O3

inchi

  • InChI=1S/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11H,1,4,6,8H2,2-3H3,(H,17,18)

inchikey

  • FPCQVGOUFYTXFX-UHFFFAOYSA-N

mass

  • 246.306

monoisotopicmass

  • 246.12559

smiles

  • O=C1C(=C2C(CCC(C2)C(C(O)=O)=C)(C)C=C1)C

subset

  • 2_STAR

synonym EXACT

  • 2-(4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)prop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197164

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