Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C22H18O6/c1-3-9-27-13-17-11-15(21(23)24)5-7-19(17)20-8-6-16(22(25)26)12-18(20)14-28-10-4-2/h1-2,5-8,11-12H,9-10,13-14H2,(H,23,24)(H,25,26)
SMILES	C#CCOCc1cc(ccc1c1ccc(cc1COCC#C)C(=O)O)C(=O)O
InChI Key	UQKGWISMQZLMJV-UHFFFAOYSA-N
Molecular Formula	C22H18O6
Exact Mass	378.375 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UQKGWISMQZLMJV-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/UQKGWISMQZLMJV-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:34:21.745296
MetadataModified	2024-09-07T18:31:15.753560
MetadataPublished	2020-08-08

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146681775	PubChem
The data in this table is sourced from UniChem at EBI.