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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 > diterpenoid > kaurane diterpenoid > 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > kaurane diterpenoid > 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid

Preferred term

14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C20H30O3

inchi

  • InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h5,13-15,21H,3-4,6-12H2,1-2H3,(H,22,23)

inchikey

  • XAFFBHRHOULDSM-UHFFFAOYSA-N

mass

  • 318.457

monoisotopicmass

  • 318.21949

smiles

  • OCC1C2CC3(C(C4(C(CC3)C(CCC4)(C)C(O)=O)C)=CC2)C1

subset

  • 2_STAR

synonym EXACT

  • 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182143

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