Dataset

Plantaginin

This MassBank record with Accession MSBNK-RIKEN-PR309274 contains the MS2 mass spectrum of Plantaginin with the InChIkey VUGRLRAUZWGZJP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2
SMILES O=C2C=C(OC3=CC(OC1OC(CO)C(O)C(O)C1(O))=C(O)C(O)=C23)C4=CC=C(O)C=C4
InChI Key VUGRLRAUZWGZJP-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-PR309274
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:14.940524
MetadataModified 2024-01-11T20:43:15.108632
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14332446 PubChem
80002359 NMRShiftDB
SCHEMBL9908075 SureChEMBL
The data in this table is sourced from UniChem at EBI.