Dataset

6a,12a-Didehydroamorphigenin; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80517 contains the MS mass spectrum of 6a,12a-Didehydroamorphigenin with the InChIkey ZHDJHNSKUYZDCF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H20O7/c1-11(9-24)16-7-14-15(29-16)5-4-12-22(25)21-13-6-18(26-2)19(27-3)8-17(13)28-10-20(21)30-23(12)14/h4-6,8,16,24H,1,7,9-10H2,2-3H3
SMILES COC1=C(C=C2C(=C1)C3=C(CO2)OC4=C(C3=O)C=CC5=C4CC(O5)C(=C)CO)OC
InChI Key ZHDJHNSKUYZDCF-UHFFFAOYSA-N
Molecular Formula C23H20O7
Exact Mass 408.121 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-BML80517
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL14029299 SureChEMBL
    70092701 NMRShiftDB
    8306880 eMolecules
    4435675 PubChem
    CHEMBL1613441 ChEMBL
    MCULE-1797079525 Mcule
    LMPK12060063 LipidMaps
    The data in this table is sourced from UniChem at EBI.