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CHEBI:197727 - Pestaloficiol V

ChEBI IDCHEBI:197727
ChEBI NamePestaloficiol V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O3
Net Charge0
Average Mass260.333
Monoisotopic Mass260.14124
SMILESCC(C)=CCc1cccc2c1OC(C)(C)[C@@H](O)C2=O
InChIInChI=1S/C16H20O3/c1-10(2)8-9-11-6-5-7-12-13(17)15(18)16(3,4)19-14(11)12/h5-8,15,18H,9H2,1-4H3/t15-/m0/s1
InChIKeyDIBXOBBIICUONB-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (27015125)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol V (CHEBI:197727) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3R)-3-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3H-chromen-4-one
Manual XrefsDatabases
78440689ChemSpider