Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H26N2O6/c1-17(2)8-12(20-14(22)5-7-16(25)26)9-18(3,10-17)11-19-13(21)4-6-15(23)24/h4-7,12H,8-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b6-4-,7-5-
SMILES	O=C(NCC1(C)CC(NC(=O)/C=C\C(=O)O)CC(C1)(C)C)/C=C\C(=O)O
InChI Key	OSMXVZQQWFMTPK-PEPZGXQESA-N
Molecular Formula	C18H26N2O6
Exact Mass	366.409 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/OSMXVZQQWFMTPK-PEPZGXQESA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OSMXVZQQWFMTPK-PEPZGXQESA-N/CHMO0000470
Version
Author	hatice mutlu
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:55:02.514603
MetadataModified	2024-09-08T00:55:02.514609
MetadataPublished	2023-05-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168059105	PubChem
The data in this table is sourced from UniChem at EBI.