Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H15N3O6S2/c1-3-25-16(23)10-12(21)19-14(27-10)8-6-5-7-9(18-8)15-20-13(22)11(28-15)17(24)26-4-2/h5-7,21-22H,3-4H2,1-2H3
SMILES	CCOC(=O)c1sc(nc1O)c1cccc(n1)c1nc(c(s1)C(=O)OCC)O
InChI Key	HXXWHZSNCALSIL-UHFFFAOYSA-N
Molecular Formula	C17H15N3O6S2
Exact Mass	421.447 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HXXWHZSNCALSIL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HXXWHZSNCALSIL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Eric Täuscher
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:12:32.702331
MetadataModified	2024-09-07T20:37:42.291301
MetadataPublished	2021-10-20

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
156619915	PubChem
The data in this table is sourced from UniChem at EBI.