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CHEBI:209801 - Pestalotheol K

ChEBI IDCHEBI:209801
ChEBI NamePestalotheol K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCC(=CC=C1C[C@@H]2O[C@@H](C(C)(C)O)C[C@]23O[C@@H]3[C@@H]1O)CO
InChIInChI=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
InChIKeyWXOMLBGMAYEDQZ-YTBGYOSVSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis theae (ncbitaxon:218556) - PubMed (32102178)
ChEBI Ontology
Outgoing Relation(s)
Pestalotheol K (CHEBI:209801) is a oxacycle (CHEBI:38104)
IUPAC Name 
(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