Dataset

Ginsenoside F3

This MassBank record with Accession MSBNK-RIKEN-PR304343 contains the MS2 mass spectrum of Ginsenoside F3 with the InChIkey HJRVLGWTJSLQIG-TVOOLRDFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-52-35-32(49)29(46)24(44)18-51-35)21-11-15-39(6)28(21)22(42)16-26-38(5)14-12-27(45)37(3,4)34(38)23(43)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22-,23+,24-,25-,26-,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,38-,39-,40-,41+/m0/s1
SMILES CC(C)=CCC[C@@](C)(O[C@H]1O[C@@H](CO[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3[C@H](O)C[C@]21C
InChI Key HJRVLGWTJSLQIG-TVOOLRDFSA-N
Molecular Formula C41H70O13
Exact Mass 770.998 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-PR304343
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:02:36.739871
MetadataModified 2025-02-09T18:27:45.507951
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
137832346 PubChem
The data in this table is sourced from UniChem at EBI.