Dataset

Eleutheroside E

This MassBank record with Accession MSBNK-RIKEN-PR308072 contains the MS2 mass spectrum of Eleutheroside E with the InChIkey FFDULTAFAQRACT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3
SMILES COC1=CC(=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1
InChI Key FFDULTAFAQRACT-UHFFFAOYSA-N
Molecular Formula C34H46O18
Exact Mass 742.724 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-PR308072
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:40.348042
MetadataModified 2024-01-11T20:40:40.501001
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0036410 Human Metabolome Database
226371 PubChem
70127841 NMRShiftDB
PD056692 ProbesDrugs
The data in this table is sourced from UniChem at EBI.