Dataset

Altersolanol A; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000066 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-AC000066
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
    51171024 bindingdb
    51171027 bindingdb
    51171028 bindingdb
    51171033 bindingdb
    51171039 bindingdb
    51171041 bindingdb
    51171042 bindingdb
    51171044 bindingdb
    51171045 bindingdb
    51171050 bindingdb
    51171055 bindingdb
    51171063 bindingdb
    51171064 bindingdb
    51171065 bindingdb
    51171067 bindingdb
    51171069 bindingdb
    51171074 bindingdb
    51171078 bindingdb
    51171082 bindingdb
    51171087 bindingdb
    51171096 bindingdb
    51171097 bindingdb
    51171099 bindingdb
    51171102 bindingdb
    Molport-019-998-859 molport
    The data in this table is sourced from UniChem at EBI.