Dataset

Acacetin-7-O-rutinoside

This MassBank record with Accession MSBNK-RIKEN-PR306353 contains the MS2 mass spectrum of Acacetin-7-O-rutinoside with the InChIkey YFVGIJBUXMQFOF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H32O14/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/h3-9,11,19,21-29,31-36H,10H2,1-2H3
SMILES COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1
InChI Key YFVGIJBUXMQFOF-UHFFFAOYSA-N
Molecular Formula C28H32O14
Exact Mass 592.550 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-PR306353
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:51.691360
MetadataModified 2024-01-11T20:42:51.947957
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD098723 ProbesDrugs
20633-93-6 ACToR
SCHEMBL7169195 SureChEMBL
5480901 PubChem
MCULE-5377224613 Mcule
1229037 eMolecules
CHEMBL601333 ChEMBL
HMDB0254097 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.