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CHEBI:199774 - Pestalotheol F

ChEBI IDCHEBI:199774
ChEBI NamePestalotheol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCC1(C)CC(=O)C2=C(C[C@@H]3C[C@H](C(C)(C)O)O[C@H]3[C@@H]2O)O1
InChIInChI=1S/C16H24O5/c1-15(2)7-9(17)12-10(21-15)5-8-6-11(16(3,4)19)20-14(8)13(12)18/h8,11,13-14,18-19H,5-7H2,1-4H3/t8-,11-,13-,14-/m1/s1
InChIKeyDZAJOXRUACGTEM-KLPZLMTLSA-N
ChEBI Ontology
Outgoing Relation(s)
Pestalotheol F (CHEBI:199774) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R,3aS,9R,9aR)-9-hydroxy-2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,3a,4,7,9,9a-hexahydro-2H-uro[2,3-g]chromen-8-one
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