Dataset

Solasodine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82195 contains the MS mass spectrum of Solasodine with the InChIkey KWVISVAMQJWJSZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3
SMILES CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1
InChI Key KWVISVAMQJWJSZ-UHFFFAOYSA-N
Molecular Formula C27H43NO2
Exact Mass 413.329 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-BML82195
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:22:51.742538
MetadataModified 2024-01-11T22:22:51.922126
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5250 PubChem
TAFXON CCDC
1102965 eMolecules
26711387 eMolecules
126-17-0 ACToR
CHEMBL1964743 ChEMBL
PD039632 ProbesDrugs
70035468 NMRShiftDB
MCULE-5834076976 Mcule
SCHEMBL12838252 SureChEMBL
HMDB0035282 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.