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CHEBI:211532 - Pestaloficiol H

ChEBI IDCHEBI:211532
ChEBI NamePestaloficiol H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCC(C)=C/C=C1\C2=C(C[C@H](O)[C@@H]1O)C(=O)CC(C)(C)O2
InChIInChI=1S/C16H22O4/c1-9(2)5-6-10-14(19)12(17)7-11-13(18)8-16(3,4)20-15(10)11/h5-6,12,14,17,19H,7-8H2,1-4H3/b10-6-/t12-,14+/m0/s1
InChIKeyDVORNMLMLUVMKJ-WFTZOSOSSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (19618920)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol H (CHEBI:211532) is a benzopyran (CHEBI:22727)
IUPAC Name 
(6S,7R,8Z)-6,7-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enylidene)-3,5,6,7-tetrahydrochromen-4-one
Manual XrefsDatabases
78437983ChemSpider