Dataset

Ginsenoside Rg5

This MassBank record with Accession MSBNK-RIKEN-PR304435 contains the MS2 mass spectrum of Ginsenoside Rg5 with the InChIkey NJUXRKMKOFXMRX-OOFHPJNRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H70O12/c1-21(2)10-9-11-22(3)23-12-16-42(8)30(23)24(45)18-28-40(6)15-14-29(39(4,5)27(40)13-17-41(28,42)7)53-38-36(34(49)32(47)26(20-44)52-38)54-37-35(50)33(48)31(46)25(19-43)51-37/h10-11,23-38,43-50H,9,12-20H2,1-8H3/b22-11-/t23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,40+,41-,42-/m1/s1
SMILES CC(C)=CC\C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C
InChI Key NJUXRKMKOFXMRX-OOFHPJNRSA-N
Molecular Formula C42H70O12
Exact Mass 767.010 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-PR304435
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:07.276503
MetadataModified 2024-01-11T20:44:07.456389
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
57284898 PubChem: Thomson Pharma
11499199 PubChem
ZINC000255245937 ZINC
SCHEMBL20904223 SureChEMBL
J846.305K Nikkaji
The data in this table is sourced from UniChem at EBI.