Dataset

isosakuranetin-7-O-rutinoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR305806 contains the MS2 mass spectrum of isosakuranetin-7-O-rutinoside with the InChIkey RMCRQBAILCLJGU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3
SMILES COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1
InChI Key RMCRQBAILCLJGU-UHFFFAOYSA-N
Molecular Formula C28H34O14
Exact Mass 594.566 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-PR305806
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD065073 ProbesDrugs
    60053617 NMRShiftDB
    HMDB0029482 Human Metabolome Database
    85705 PubChem
    The data in this table is sourced from UniChem at EBI.