Dataset

Eriodictyol-7-O-rutinoside

This MassBank record with Accession MSBNK-RIKEN-PR306169 contains the MS2 mass spectrum of Eriodictyol-7-O-rutinoside with the InChIkey OMQADRGFMLGFJF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3
SMILES CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O
InChI Key OMQADRGFMLGFJF-UHFFFAOYSA-N
Molecular Formula C27H32O15
Exact Mass 596.538 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-PR306169
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:33.994303
MetadataModified 2024-01-11T20:42:34.159624
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
29547624 eMolecules
60028657 NMRShiftDB
3564542 PubChem
PD099071 ProbesDrugs
SCHEMBL16362160 SureChEMBL
The data in this table is sourced from UniChem at EBI.