Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H14O6/c23-17-9-15(21(25)26)11-5-1-3-7-13(11)19(17)20-14-8-4-2-6-12(14)16(22(27)28)10-18(20)24/h1-10,23-24H,(H,25,26)(H,27,28)
SMILES	Oc1cc(C(=O)O)c2c(c1c1c(O)cc(c3c1cccc3)C(=O)O)cccc2
InChI Key	XZPJJIVENUMRKP-UHFFFAOYSA-N
Molecular Formula	C22H14O6
Exact Mass	374.343 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/XZPJJIVENUMRKP-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XZPJJIVENUMRKP-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simon Oßwald
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:30:01.677829
MetadataModified	2024-09-08T01:30:01.677835
MetadataPublished	2023-08-22

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
53488137	PubChem
DTXSID60705443	EPA CompTox Dashboard
J2.493.437C	Nikkaji
The data in this table is sourced from UniChem at EBI.