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 > (2e,4e,6e)-7-[(1r,2e,4as,6s,7r,8r,8ar)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > (2e,4e,6e)-7-[(1r,2e,4as,6s,7r,8r,8ar)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid

Preferred term

(2e,4e,6e)-7-[(1r,2e,4as,6s,7r,8r,8ar)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C25H34O5

inchi

  • InChI=1S/C25H34O5/c1-14(6-7-23(28)29)8-15(2)9-22-21(12-20(27)13-26)16(3)10-19-11-17(4)25(30)18(5)24(19)22/h6-10,12,17-19,22,24-26,30H,11,13H2,1-5H3,(H,28,29)/b7-6+,14-8+,15-9+,21-12-/t17-,18+,19-,22+,24+,25+/m0/s1

inchikey

  • OQJAHXQKGGHDPO-IGHWRCALSA-N

mass

  • 414.542

monoisotopicmass

  • 414.24062

smiles

  • O=C(O)/C=C/C(=C/C(=C/[C@@H]1/C(/C(=C[C@@H]2[C@H]1[C@H]([C@H](O)[C@H](C2)C)C)C)=C/C(=O)CO)/C)/C

subset

  • 2_STAR

synonym EXACT

  • (2E,4E,6E)-7-[(1R,2E,4aS,6S,7R,8R,8aR)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201033

Download this concept:

RDF/XML TURTLE JSON-LD