Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H32N2O6/c23-17(11-13-19(25)26)21-15-9-7-5-3-1-2-4-6-8-10-16-22-18(24)12-14-20(27)28/h11-14H,1-10,15-16H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b13-11-,14-12-
SMILES	O=C(/C=C\C(=O)O)NCCCCCCCCCCCCNC(=O)/C=C\C(=O)O
InChI Key	UIPWBIZIYFFHOR-XSYHWHKQSA-N
Molecular Formula	C20H32N2O6
Exact Mass	396.478 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/UIPWBIZIYFFHOR-XSYHWHKQSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/UIPWBIZIYFFHOR-XSYHWHKQSA-N/CHMO0000470
Version
Author	hatice mutlu
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:56:04.602534
MetadataModified	2024-09-08T00:56:04.602538
MetadataPublished	2023-05-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL8857582	SureChEMBL
88376643	PubChem
ZINC000044628545	ZINC
The data in this table is sourced from UniChem at EBI.