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CHEBI:226845 - Pseudopestalone

ChEBI IDCHEBI:226845
ChEBI NamePseudopestalone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCC(C)=CC[C@@]1(O)C2=C(C[C@@H](O)[C@@H]1O)C(=O)CC(C)(C)O2
InChIInChI=1S/C16H24O5/c1-9(2)5-6-16(20)13(19)11(17)7-10-12(18)8-15(3,4)21-14(10)16/h5,11,13,17,19-20H,6-8H2,1-4H3/t11-,13+,16+/m1/s1
InChIKeySSMYUFFFSWBFFU-FFSVYQOJSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis (ncbitaxon:1562292) - DOI (10.1016/j.tet.2019.130530)
ChEBI Ontology
Outgoing Relation(s)
Pseudopestalone (CHEBI:226845) is a benzopyran (CHEBI:22727)
IUPAC Name 
(6R,7S,8S)-6,7,8-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3,5,6,7-tetrahydrochromen-4-one
Manual XrefsDatabases
78315796ChemSpider