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CHEBI:198611 - Pestaloficiol I

ChEBI IDCHEBI:198611
ChEBI NamePestaloficiol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCC1(C)CC(=O)C2=C(O1)C1=C[C@@H](C(C)(C)O)O[C@H]1[C@@H](O)C2
InChIInChI=1S/C16H22O5/c1-15(2)7-11(18)8-5-10(17)14-9(13(8)21-15)6-12(20-14)16(3,4)19/h6,10,12,14,17,19H,5,7H2,1-4H3/t10-,12-,14+/m0/s1
InChIKeyJYXSZFDEOPSZCU-VHRBIJSZSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (19618920)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol I (CHEBI:198611) is a pyranone (CHEBI:37963)
IUPAC Name 
(6S,6aR,8S)-6-hydroxy-8-(2-hydroxypropan-2-yl)-2,2-dimethyl-5,6,6a,8-tetrahydro-3H-uro[2,3-h]chromen-4-one
Manual XrefsDatabases
24676208ChemSpider