Chrysotriazole A (CHEBI:198388)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Chrysotriazole A

ChEBI ID	CHEBI:198388

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C17H17N3O3

Net Charge

Average Mass

311.341

Monoisotopic Mass

311.12699

InChI

InChI=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

InChIKey

VVAYTQZCXQEHFX-UHFFFAOYSA-N

SMILES

O(C1=C(N2N=CN=C2CC3=CC=C(O)C=C3)C=CC(=C1)OC)C

Metabolite of Species	Details
Penicillium (NCBI:txid5073)	See: DOI

ChEBI Ontology
Outgoing	Chrysotriazole A (CHEBI:198388) is a triazoles (CHEBI:35727)

IUPAC Name

4-[[2-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]phenol