Dataset

Helicocerin, cerulenin, (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide, (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT111300 contains the MS2 mass spectrum of Helicocerin, cerulenin, (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide, (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide with the InChIkey GVEZIHKRYBHEFX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)
SMILES	CC=CCC=CCCC(=O)C1C(O1)C(=O)N
InChI Key	GVEZIHKRYBHEFX-UHFFFAOYSA-N
Molecular Formula	C12H17NO3
Exact Mass	223.272 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT111300
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:07:47.156586
MetadataModified	2024-01-11T21:07:47.312310
MetadataPublished	2008-07-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD028502	ProbesDrugs
272023	PubChem
The data in this table is sourced from UniChem at EBI.