Dataset

Otosenine; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81860 contains the MS mass spectrum of Otosenine with the InChIkey CZQLULNMKQAIQL-GZSSMBGUSA-N.

Chemical Information

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-BML81860
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1R,3'S,4S,6R,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:136467 chebi
    CHEMBL511627 chembl
    31589437 surechembl
    101289700 pubchem
    6438142 pubchem
    OTOSEN CCDC
    Z999A1E7I4 fdasrs
    Molport-002-527-385 molport
    The data in this table is sourced from UniChem at EBI.