Dataset

6a,12a-Didehydroamorphigenin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80515 contains the MS mass spectrum of 6a,12a-Didehydroamorphigenin with the InChIkey ZHDJHNSKUYZDCF-UHFFFAOYSA-N.

Chemical Info

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-BML80515
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:02.101084
MetadataModified 2024-01-11T22:27:02.264501
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL14029299 SureChEMBL
70092701 NMRShiftDB
4435675 PubChem
LMPK12060063 LipidMaps
MCULE-1797079525 Mcule
8306880 eMolecules
CHEMBL1613441 ChEMBL
The data in this table is sourced from UniChem at EBI.