Dataset

Hyperoside

This MassBank record with Accession MSBNK-Fiocruz-FIO00154 contains the MS2 mass spectrum of Hyperoside with the InChIkey OVSQVDMCBVZWGM-DTGCRPNFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
SMILES OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C(=O)3)=C(Oc(c4)c(c(O)cc(O)4)3)c(c2)cc(O)c(O)c2
InChI Key OVSQVDMCBVZWGM-DTGCRPNFSA-N
Molecular Formula C21H20O12
Exact Mass 464.095 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-Fiocruz-FIO00154
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:36:44.542752
MetadataModified 2024-01-11T16:36:44.724264
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C10073 KEGG Ligand
12015313 PubChem: Drugs of the Future
SAM001246776 NIH Clinical Collection
CHEMBL251254 ChEMBL
531295 eMolecules
66582 Brenda
60669 Brenda
CB9240043 ChemicalBook
15941 Brenda
56625 Brenda
MTBLC67486 Metabolights
HMDB0030775 Human Metabolome Database
71872 Brenda
11743 Brenda
15058548 PubChem: Thomson Pharma
5281643 PubChem
60021422 NMRShiftDB
J6O PDBe
PD002972 ProbesDrugs
8O1CR18L82 FDA SRS
LSM-5907 LINCS
LMPK12112041 LipidMaps
J12.400A Nikkaji
SCHEMBL1250514 SureChEMBL
67486 ChEBI
MolPort-001-740-566 MolPort
429266 BindingDB
ZINC000003973253 ZINC
HY-N0452 MedChemExpress
MCULE-5363142212 Mcule
The data in this table is sourced from UniChem at EBI.