Dataset

Otosenine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81861 contains the MS mass spectrum of Otosenine with the InChIkey CZQLULNMKQAIQL-GZSSMBGUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14-,18-,19+/m1/s1
SMILES C[C@@H]1C[C@]2([C@@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)O)C
InChI Key CZQLULNMKQAIQL-GZSSMBGUSA-N
Molecular Formula C19H27NO7
Exact Mass 381.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81861
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:27.423625
MetadataModified 2024-01-11T22:24:27.580813
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6438142 PubChem
16958-29-5 ACToR
60069737 NMRShiftDB
OTOSEN CCDC
136467 ChEBI
MTBLC136467 Metabolights
MCULE-3399706571 Mcule
Z999A1E7I4 FDA SRS
CHEMBL511627 ChEMBL
4826650 eMolecules
The data in this table is sourced from UniChem at EBI.