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CHEBI:198388 - Chrysotriazole A

ChEBI IDCHEBI:198388
ChEBI NameChrysotriazole A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17N3O3
Net Charge0
Average Mass311.341
Monoisotopic Mass311.12699
SMILESCOc1ccc(-n2ncnc2Cc2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C17H17N3O3/c1-22-14-7-8-15(16(10-14)23-2)20-17(18-11-19-20)9-12-3-5-13(21)6-4-12/h3-8,10-11,21H,9H2,1-2H3
InChIKeyVVAYTQZCXQEHFX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1002/hlca.201200433)
ChEBI Ontology
Outgoing Relation(s)
Chrysotriazole A (CHEBI:198388) is a triazoles (CHEBI:35727)
IUPAC Name 
4-[[2-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]phenol
Manual XrefsDatabases
29215632ChemSpider