Dataset

Altenuene; LC-ESI-ITFT; MS2; CE: 45; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000059 contains the MS2 mass spectrum of Altenuene with the InChIkey MMHTXEATDNFMMY-WBIUFABUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15-/m0/s1
SMILES C[C@]12C[C@@H]([C@H](C=C1C3=CC(=CC(=C3C(=O)O2)O)OC)O)O
InChI Key MMHTXEATDNFMMY-WBIUFABUSA-N
Molecular Formula C15H16O6
Exact Mass 292.095 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-AC000059
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Author
Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (2S,3S,4aS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c]chromen-6-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL482228 chembl
    28852294 surechembl
    34687 pubchem
    Molport-001-739-362 molport
    The data in this table is sourced from UniChem at EBI.