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 > monoterpenoid > p-menthane monoterpenoid > 3-acetylgliocladic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > p-menthane monoterpenoid > 3-acetylgliocladic acid

Preferred term

3-acetylgliocladic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C16H24O5

inchi

  • InChI=1S/C16H24O5/c1-10(2)15-5-4-12(8-17)6-13(15)7-14(16(19)20)9-21-11(3)18/h6-7,10,13,15,17H,4-5,8-9H2,1-3H3,(H,19,20)/b14-7+/t13-,15-/m1/s1

inchikey

  • BTCRLEWCNSALFZ-ZWJJSVNDSA-N

mass

  • 296.363

monoisotopicmass

  • 296.16237

smiles

  • O=C(O)/C(=C/[C@H]1C=C(CC[C@@H]1C(C)C)CO)/COC(=O)C

subset

  • 2_STAR

synonym EXACT

  • (E)-2-(acetyloxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222776

Download this concept:

RDF/XML TURTLE JSON-LD