Dataset

mass spectrometry (MS)

Chemical Information

InChI	InChI=1S/C13H10O7S/c1-17-12-10-8(5-6-19-10)13(21(15,16)18-2)7-3-4-9(14)20-11(7)12/h3-6H,1-2H3
SMILES	COc1c2oc(=O)ccc2c(c2c1occ2)S(=O)(=O)OC
InChI Key	OOZVUKBFPMPBOF-UHFFFAOYSA-N
Exact Mass	310.279 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OOZVUKBFPMPBOF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OOZVUKBFPMPBOF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-17
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1290233	chembl
49846019	pubchem
The data in this table is sourced from UniChem at EBI.