Dataset

Corymbosin

This MassBank record with Accession MSBNK-BS-BS003508 contains the MS2 mass spectrum of Corymbosin with the InChIkey FLCVGMVLNHYJAW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H18O7/c1-22-11-7-12(20)18-13(21)9-14(26-15(18)8-11)10-5-16(23-2)19(25-4)17(6-10)24-3/h5-9,20H,1-4H3
SMILES C(OC1=C(C(=C2C(=C1[H])OC(=C(C2=O)[H])C3=C(C(=C(C(=C3[H])OC([H])([H])[H])OC([H])([H])[H])OC([H])([H])[H])[H])O[H])[H])([H])([H])[H]
InChI Key FLCVGMVLNHYJAW-UHFFFAOYSA-N
Molecular Formula C19H18O7
Exact Mass 358.105 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-BS-BS003508
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:20.426973
MetadataModified 2024-01-11T12:35:20.591930
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10970376 PubChem
16026609 PubChem: Thomson Pharma
SCHEMBL1976826 SureChEMBL
60067704 NMRShiftDB
J40.286I Nikkaji
ZINC000014644743 ZINC
LMPK12111069 LipidMaps
CHEMBL511257 ChEMBL
The data in this table is sourced from UniChem at EBI.