skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > dtxsid00904913
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > dtxsid00904913

Preferred term

dtxsid00904913  

Type

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

Broader concept

charge

  • 0

formula

  • C20H30O5

inchi

  • InChI=1S/C20H30O5/c1-12(9-17(22)23)5-7-19(3)13(2)6-8-20(4)15(18(24)25)10-14(21)11-16(19)20/h10,12-13,16H,5-9,11H2,1-4H3,(H,22,23)(H,24,25)

inchikey

  • XKXZAYIPFRBKHT-UHFFFAOYSA-N

mass

  • 350.455

monoisotopicmass

  • 350.20932

smiles

  • O=C1CC2C(C(CCC2(C(=C1)C(O)=O)C)C)(CCC(CC(O)=O)C)C

subset

  • 2_STAR

synonym EXACT

  • 5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181295

Download this concept:

RDF/XML TURTLE JSON-LD