Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+
SMILES	OC(=O)/C=C/c1ccc(cc1)OC(=O)C
InChI Key	BYHBHNKBISXCEP-QPJJXVBHSA-N
Molecular Formula	C11H10O4
Exact Mass	206.195 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BYHBHNKBISXCEP-QPJJXVBHSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/BYHBHNKBISXCEP-QPJJXVBHSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:14:05.264934
MetadataModified	2025-01-29T16:07:11.662609
MetadataPublished	2024-10-15
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL716835	SureChEMBL
16057787	PubChem: Thomson Pharma
15486-19-8	ACToR
ZINC000001672402	ZINC
J307.668G	Nikkaji
J266.780K	Nikkaji
FOFCAE	CCDC
86580	ChEBI
CB3395358	ChemicalBook
917567	eMolecules
5373941	PubChem
The data in this table is sourced from UniChem at EBI.