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CHEBI:189165 - Cladoacetal B

ChEBI IDCHEBI:189165
ChEBI NameCladoacetal B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O3
Net Charge0
Average Mass204.225
Monoisotopic Mass204.07864
SMILES[H][C@]12O[C@@H](C)[C@]([H])(C=Cc3cccc(O)c31)O2
InChIInChI=1S/C12H12O3/c1-7-10-6-5-8-3-2-4-9(13)11(8)12(14-7)15-10/h2-7,10,12-13H,1H3/t7-,10-,12+/m0/s1
InChIKeyMQNPAODYALMZAI-VIRWGQHYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Cladoacetal B (CHEBI:189165) is a phenols (CHEBI:33853)
IUPAC Name 
(1R,10S,11S)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol
Manual XrefsDatabases
9227887ChemSpider