Dataset

UNPD203664 (not validated); LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310743 contains the MS2 mass spectrum of UNPD203664 (not validated) with the InChIkey UUUCHDSMSNBEBE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C34H46O19/c1-5-16-17(18(31(44)47-4)13-49-32(16)53-34-29(43)26(40)24(38)21(12-36)50-34)11-23(37)48-14-22-25(39)27(41)28(42)33(51-22)52-30-19(45-2)9-15(7-6-8-35)10-20(30)46-3/h5-7,9-10,13,17,21-22,24-29,32-36,38-43H,8,11-12,14H2,1-4H3
SMILES O=C(OC)C2=COC(OC1OC(CO)C(O)C(O)C1(O))C(=CC)C2CC(=O)OCC4OC(OC3=C(OC)C=C(C=CCO)C=C3(OC))C(O)C(O)C4(O)
InChI Key UUUCHDSMSNBEBE-UHFFFAOYSA-N
Molecular Formula C34H46O19
Exact Mass 758.723 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-RIKEN-PR310743
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • methyl 5-ethylidene-4-[2-oxo-2-[[3,4,5-trihydroxy-6-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]ethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    76534737 pubchem
    The data in this table is sourced from UniChem at EBI.