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CHEBI:217823 - Pestaloficiol A

ChEBI IDCHEBI:217823
ChEBI NamePestaloficiol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCC1(C)CC(=O)C2=C(O1)[C@@]13C[C@@H]1C(C)(C)O[C@H]3[C@@H](O)C2
InChIInChI=1S/C16H22O4/c1-14(2)6-10(18)8-5-9(17)13-16(12(8)19-14)7-11(16)15(3,4)20-13/h9,11,13,17H,5-7H2,1-4H3/t9-,11+,13-,16+/m0/s1
InChIKeyBRIZKGNSBNBPFG-MVNLRDQZSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (18468908)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol A (CHEBI:217823) is a pyranone (CHEBI:37963)
IUPAC Name 
(1S,9S,10R,13S)-9-hydroxy-4,4,12,12-tetramethyl-3,11-dioxatetracyclo[8.4.0.01,13.02,7]tetradec-2(7)-en-6-one
Manual XrefsDatabases
24718158ChemSpider