Ginsenoside F3
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304343
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR304343 contains the MS2 mass spectrum of Ginsenoside F3 with the InChIkey HJRVLGWTJSLQIG-TVOOLRDFSA-N.
Source: Ginsenoside F3
Chemical Info
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 |
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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 |
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Additional Information
Field | Value |
---|---|
Data last updated | January 11, 2024 |
Metadata last updated | January 11, 2024 |
Created | January 11, 2024 |
Format | HTML |
License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
Id | 50e91620-12d1-4e38-8a3b-145bc734e19d |
Package id | msbnk-riken-pr304343 |
Resource type | HTML |
State | active |