Dataset

(S,R)-Noscapine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80090 contains the MS mass spectrum of (S,R)-Noscapine with the InChIkey AKNNEGZIBPJZJG-MSOLQXFVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
SMILES CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
InChI Key AKNNEGZIBPJZJG-MSOLQXFVSA-N
Molecular Formula C22H23NO7
Exact Mass 413.147 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-BML80090
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:23:26.644241
MetadataModified 2024-01-11T22:23:26.846294
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14831210 PubChem: Thomson Pharma
14904386 PubChem: Thomson Pharma
73237 ChEBI
275196 PubChem
60027813 NMRShiftDB
08N PDBe
PD012688 ProbesDrugs
8V32U4AOQU FDA SRS
LSM-3997 LINCS
128-62-1 ACToR
QQQAPM CCDC
SCHEMBL4559 SureChEMBL
MCULE-5334942206 Mcule
J9.283E Nikkaji
50424716 BindingDB
NOSCAPINE rxnorm
1973 DrugCentral
NOSCAPINE clinicaltrials
NOSCAPINE HYDROCHLORIDE clinicaltrials
DTXSID4023385 EPA CompTox Dashboard
A4C6WE7BZN FDA SRS
HY-13716 MedChemExpress
ZINC000019418974 ZINC
73237 Rhea
10212 Guide to Pharmacology
MTBLC73237 Metabolights
DB06174 DrugBank
226060 Brenda
CB8468501 ChemicalBook
HMDB0033439 Human Metabolome Database
CHEMBL364713 ChEMBL
C09592 KEGG Ligand
501130 eMolecules
The data in this table is sourced from UniChem at EBI.