Dataset

Karakoline

This MassBank record with Accession MSBNK-RIKEN-PR301161 contains the MS2 mass spectrum of Karakoline with the InChIkey HKQZUYOVMYOFIT-VHNBHZRZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1
SMILES CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)C14
InChI Key HKQZUYOVMYOFIT-VHNBHZRZSA-N
Molecular Formula C22H35NO4
Exact Mass 377.525 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-PR301161
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:30.187304
MetadataModified 2024-01-11T20:40:30.345964
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C08693 KEGG Ligand
6113 ChEBI
CB3986952 ChemicalBook
MTBLC6113 Metabolights
39089-30-0 ACToR
441742 PubChem
The data in this table is sourced from UniChem at EBI.