Dataset

harringtonine; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82381 contains the MS mass spectrum of harringtonine with the InChIkey HAVJATCHLFRDHY-ZBVBGGFBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28+/m1/s1
SMILES CC(C)(CC[C@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O
InChI Key HAVJATCHLFRDHY-ZBVBGGFBSA-N
Molecular Formula C28H37NO9
Exact Mass 531.247 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-BML82381
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2S)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MQ6 rcsb_pdb
    29927670 pubchem
    PD118272 probes_and_drugs
    MQ6 pdbe
    The data in this table is sourced from UniChem at EBI.