Dataset

2,3-Trans-3,4-trans-Leucocyanidin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003920 contains the MS mass spectrum of 2,3-Trans-3,4-trans-Leucocyanidin with the InChIkey SBZWTSHAFILOTE-QLFBSQMISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14+,15-/m1/s1
SMILES C1=CC(=C(C=C1[C@@H]2[C@H]([C@@H](C3=C(C=C(C=C3O2)O)O)O)O)O)O
InChI Key SBZWTSHAFILOTE-QLFBSQMISA-N
Molecular Formula C15H14O7
Exact Mass 306.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003920
Version
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL126393 ChEMBL
    J1.901.199B Nikkaji
    225806 Brenda
    DAWJOA CCDC
    70129248 NMRShiftDB
    69256-15-1 ACToR
    16352792 PubChem: Thomson Pharma
    155206 PubChem
    31942 Brenda
    125382 Brenda
    112498 Brenda
    56439 Brenda
    ZINC000003591028 ZINC
    The data in this table is sourced from UniChem at EBI.