Dataset

Amorphigenin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80731 contains the MS mass spectrum of Amorphigenin with the InChIkey ZJMLELXRQUXRIU-HBGVWJBISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H22O7/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/h4-6,8,16,20-21,24H,1,7,9-10H2,2-3H3/t16-,20-,21+/m1/s1
SMILES COC1=C(C=C2C(=C1)[C@H]3[C@@H](CO2)OC4=C(C3=O)C=CC5=C4C[C@@H](O5)C(=C)CO)OC
InChI Key ZJMLELXRQUXRIU-HBGVWJBISA-N
Molecular Formula C23H22O7
Exact Mass 410.137 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-BML80731
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:50.133084
MetadataModified 2024-01-11T22:28:50.287250
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
183897 ChEBI
4796962 eMolecules
CHEMBL465552 ChEMBL
92207 PubChem
70015949 NMRShiftDB
4208-09-7 ACToR
SCHEMBL74859 SureChEMBL
LMPK12060012 LipidMaps
ZINC000003947515 ZINC
MolPort-002-515-316 MolPort
MCULE-6377337101 Mcule
J15.134C Nikkaji
The data in this table is sourced from UniChem at EBI.