Dataset

Cynarin

This MassBank record with Accession MSBNK-RIKEN-PR307532 contains the MS2 mass spectrum of Cynarin with the InChIkey YDDUMTOHNYZQPO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)
SMILES OC1CC(CC(OC(=O)C=CC2=CC(O)=C(O)C=C2)C1O)(OC(=O)C=CC1=CC(O)=C(O)C=C1)C(O)=O
InChI Key YDDUMTOHNYZQPO-UHFFFAOYSA-N
Molecular Formula C25H24O12
Exact Mass 516.455 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-PR307532
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:22.148751
MetadataModified 2024-01-11T20:43:22.301436
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
205954 PubChem
PD030926 ProbesDrugs
HMDB0242355 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.