Dataset

Indole-3-acetyl-L-isoleucine

Chemical Info

InChI	InChI=1S/C16H20N2O3/c1-3-10(2)15(16(20)21)18-14(19)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,15,17H,3,8H2,1-2H3,(H,18,19)(H,20,21)/t10-,15-/m0/s1
SMILES	CC[C@H](C)[C@H](N=C(O)CC1=CNC2=CC=CC=C12)C(O)=O
InChI Key	WPTUQMUCTTVOFW-BONVTDFDSA-N
Molecular Formula	C16H20N2O3
Exact Mass	288.347 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304101
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:42:37.118986
MetadataModified	2024-01-11T20:42:37.282783
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J1.436.055G	Nikkaji
KIHZUW	CCDC
CB7777284	ChemicalBook
SCHEMBL503296	SureChEMBL
57105-45-0	ACToR
1939170	eMolecules
ZINC000000056769	ZINC
644226	PubChem
The data in this table is sourced from UniChem at EBI.