Dataset

Altersolanol A

This MassBank record with Accession MSBNK-AAFC-AC000066 contains the MS2 mass spectrum of Altersolanol A with the InChIkey VSMBLBOUQJNJIL-JJXSEGSLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1
SMILES C[C@]1([C@@H]([C@H](C2=C([C@H]1O)C(=O)C3=CC(=CC(=C3C2=O)O)OC)O)O)O
InChI Key VSMBLBOUQJNJIL-JJXSEGSLSA-N
Molecular Formula C16H16O8
Exact Mass 336.084 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-AAFC-AC000066
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:25.037200
MetadataModified 2024-01-11T09:24:25.204187
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
89644 PubChem
15495599 PubChem: Thomson Pharma
70000557 NMRShiftDB
DTXSID10891800 EPA CompTox Dashboard
SCHEMBL2793105 SureChEMBL
31239937 eMolecules
RIJHOH CCDC
J16.205A Nikkaji
50480485 BindingDB
2615 ChEBI
CHEMBL512054 ChEMBL
C10296 KEGG Ligand
The data in this table is sourced from UniChem at EBI.