Dataset

myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS092907 contains the MS2 mass spectrum of myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside with the InChIkey DCYOADKBABEMIQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3
SMILES CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
InChI Key DCYOADKBABEMIQ-UHFFFAOYSA-N
Molecular Formula C21H20O12
Exact Mass 464.379 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS092907
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:54.448525
MetadataModified 2024-01-11T21:07:54.606259
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL13240936 SureChEMBL
5352000 PubChem
17912-87-7 ACToR
60026929 NMRShiftDB
PD056206 ProbesDrugs
HMDB0034360 Human Metabolome Database
8143 Brenda
SCHEMBL22788153 SureChEMBL
CHEMBL1599224 ChEMBL
730436 eMolecules
The data in this table is sourced from UniChem at EBI.