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CHEBI:208915 - Pestalotheol D

ChEBI IDCHEBI:208915
ChEBI NamePestalotheol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O4
Net Charge0
Average Mass276.332
Monoisotopic Mass276.13616
SMILESCC1(C)CC(=O)c2cc3c(cc2O1)C[C@@H](C(C)(C)O)O3
InChIInChI=1S/C16H20O4/c1-15(2)8-11(17)10-7-12-9(5-13(10)20-15)6-14(19-12)16(3,4)18/h5,7,14,18H,6,8H2,1-4H3/t14-/m0/s1
InChIKeyCGEURPDLOCVPML-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis theae (ncbitaxon:218556) - PubMed (18303847)
ChEBI Ontology
Outgoing Relation(s)
Pestalotheol D (CHEBI:208915) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
2-(2-hydroxypropan-2-yl)-6,6-dimethyl-3,7-dihydro-2H-uro[2,3-g]chromen-8-one
Manual XrefsDatabases
28288326ChemSpider