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CHEBI:200475 - Vaccinol A

ChEBI IDCHEBI:200475
ChEBI NameVaccinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O3
Net Charge0
Average Mass272.344
Monoisotopic Mass272.14124
SMILESCC(C)=CCc1ccc(O)c2c1C=C[C@@H]1O[C@H]2O[C@H]1C
InChIInChI=1S/C17H20O3/c1-10(2)4-5-12-6-8-14(18)16-13(12)7-9-15-11(3)19-17(16)20-15/h4,6-9,11,15,17-18H,5H2,1-3H3/t11-,15-,17+/m0/s1
InChIKeySIHDWOBVGPXLHQ-XNJJOIOASA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.tet.2014.10.056)
ChEBI Ontology
Outgoing Relation(s)
Vaccinol A (CHEBI:200475) is a phenols (CHEBI:33853)
IUPAC Name 
(1R,10S,11S)-11-methyl-6-(3-methylbut-2-enyl)-12,13-dioxatricyclo[8.2.1.02,7]trideca-2,4,6,8-tetraen-3-ol
Manual XrefsDatabases
34981940ChemSpider