Dataset

(+)-Bicuculline

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00743 contains the MS2 mass spectrum of (+)-Bicuculline with the InChIkey IYGYMKDQCDOMRE-ZWKOTPCHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
SMILES CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
InChI Key IYGYMKDQCDOMRE-ZWKOTPCHSA-N
Molecular Formula C20H17NO6
Exact Mass 367.106 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00743
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:21:50.488693
MetadataModified 2024-01-11T22:21:50.671407
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10237 PubChem
60026162 NMRShiftDB
PD016205 ProbesDrugs
bicuculline Atlas
15953321 PubChem: Thomson Pharma
SCHEMBL8222 SureChEMBL
485-49-4 ACToR
bicuculline Selleck
Y37615DVKC FDA SRS
J108.007E Nikkaji
BICUCL CCDC
MTBLC3092 Metabolights
H0Z PDBe
169874 Brenda
CB3418662 ChemicalBook
DB11562 DrugBank
DTXSID3042687 EPA CompTox Dashboard
ZINC000019899011 ZINC
50000693 BindingDB
HY-N0219 MedChemExpress
CHEMBL417990 ChEMBL
3092 ChEBI
2312 Guide to Pharmacology
C09364 KEGG Ligand
715142 eMolecules
The data in this table is sourced from UniChem at EBI.