skip to main content

Chemistry, part 2

Content language

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

Concept information

organooxygen compound > oxacycle > pestalotheol k
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > pestalotheol k
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pestalotheol k
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pestalotheol k

Preferred term

pestalotheol k  

Type

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

Broader concept

charge

  • 0

formula

  • C16H24O5

inchi

  • InChI=1S/C16H24O5/c1-9(8-17)4-5-10-6-11-16(14(21-16)13(10)18)7-12(20-11)15(2,3)19/h4-5,11-14,17-19H,6-8H2,1-3H3/t11-,12+,13+,14+,16-/m0/s1

inchikey

  • WXOMLBGMAYEDQZ-YTBGYOSVSA-N

mass

  • 296.363

monoisotopicmass

  • 296.16237

smiles

  • O1[C@@H]2[C@@]3(O[C@@H]3[C@H](O)C(C2)=CC=C(CO)C)C[C@@H]1C(O)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3R,4R,7S,9R)-5-(4-hydroxy-3-methylbut-2-enylidene)-9-(2-hydroxypropan-2-yl)-2,8-dioxatricyclo[5.3.0.01,3]decan-4-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209801

Download this concept:

RDF/XML TURTLE JSON-LD