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CHEBI:227243 - Pestalotheol G

ChEBI IDCHEBI:227243
ChEBI NamePestalotheol G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O6
Net Charge0
Average Mass310.346
Monoisotopic Mass310.14164
SMILESCC1(C)CC(=O)C2=C(O1)[C@@H]1O[C@@]13C[C@H](C(C)(C)O)O[C@H]3[C@H]2O
InChIInChI=1S/C16H22O6/c1-14(2)5-7(17)9-10(18)12-16(13(22-16)11(9)21-14)6-8(20-12)15(3,4)19/h8,10,12-13,18-19H,5-6H2,1-4H3/t8-,10+,12+,13+,16-/m1/s1
InChIKeyNEPVZNQXUFOREH-UVEINIBXSA-N
ChEBI Ontology
Outgoing Relation(s)
Pestalotheol G (CHEBI:227243) is a pyranone (CHEBI:37963)
IUPAC Name 
(2S,4R,6R,8S,9S)-9-hydroxy-6-(2-hydroxypropan-2-yl)-13,13-dimethyl-3,7,14-trioxatetracyclo[8.4.0.02,4.04,8]tetradec-1(10)-en-11-one
Manual XrefsDatabases
78438367ChemSpider