Dataset

NP-000286(7)

This MassBank record with Accession MSBNK-RIKEN-PR307163 contains the MS2 mass spectrum of NP-000286(7) with the InChIkey ODBRNZZJSYPIDI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2
SMILES OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O
InChI Key ODBRNZZJSYPIDI-UHFFFAOYSA-N
Molecular Formula C21H20O11
Exact Mass 448.380 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-PR307163
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:38:47.345130
MetadataModified 2025-02-09T17:43:48.853634
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10984978 eMolecules
SCHEMBL14076164 SureChEMBL
6426860 PubChem
PD086908 ProbesDrugs
60025145 NMRShiftDB
CHEMBL1302308 ChEMBL
139455 ChEBI
60724 BindingDB
MCULE-3951184105 Mcule
HMDB0253666 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.