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

Preferred term

benditerpenoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C20H30O3

inchi

  • InChI=1S/C20H30O3/c1-12(2)15-9-7-14(4)16-8-5-13(3)6-10-19(21)18(20(22)23)11-17(15)16/h6,11,14-17,19,21H,1,5,7-10H2,2-4H3,(H,22,23)/b13-6+,18-11?/t14-,15-,16+,17-,19-/m0/s1

inchikey

  • JAPJJUWCCYKHOP-DAHPMHTDSA-N

mass

  • 318.457

monoisotopicmass

  • 318.21949

smiles

  • O=C(O)C1=C[C@@H]2[C@@H]([C@H](CC[C@H]2C(=C)C)C)CCC(=CC[C@@H]1O)C

subset

  • 2_STAR

synonym EXACT

  • (1R,4S,4aR,7E,10S,12aS)-10-hydroxy-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,9,10,12a-decahydrobenzo[10]annulene-11-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211588

Download this concept:

RDF/XML TURTLE JSON-LD