Dataset

Altersolanol A; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000069 contains the MS2 mass spectrum of Altersolanol A with the InChIkey VSMBLBOUQJNJIL-JJXSEGSLSA-N.

Chemical Information

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-AC000069
Version
Author
Maintainer
Language
MetadataPublished 2017-07-07
Related Molecule
  • (1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:2615 chebi
    CHEMBL512054 chembl
    2793105 surechembl
    29845341 surechembl
    89644 pubchem
    RIJHOH CCDC
    ZS3LU23BE3 fdasrs
    Molport-019-998-859 molport
    50480485 bindingdb
    The data in this table is sourced from UniChem at EBI.