EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:202924 - Chrysotriazole B

ChEBI IDCHEBI:202924
ChEBI NameChrysotriazole B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15N3O3
Net Charge0
Average Mass297.314
Monoisotopic Mass297.11134
SMILESCOc1cc(O)ccc1-n1ncnc1Cc1ccc(O)cc1
InChIInChI=1S/C16H15N3O3/c1-22-15-9-13(21)6-7-14(15)19-16(17-10-18-19)8-11-2-4-12(20)5-3-11/h2-7,9-10,20-21H,8H2,1H3
InChIKeyWBJTYJGWAMUJGK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1002/hlca.201200433)
ChEBI Ontology
Outgoing Relation(s)
Chrysotriazole B (CHEBI:202924) is a triazoles (CHEBI:35727)
IUPAC Name 
4-[5-[(4-hydroxyphenyl)methyl]-1,2,4-triazol-1-yl]-3-methoxyphenol
Manual XrefsDatabases
29215633ChemSpider