Gluconasturtiin, Gluconasturcin,...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS107910
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS107910 contains the MS2 mass spectrum of Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate with the InChIkey...
Source: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate
Chemical Info
| InChI | InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23) |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O |
| InChI Key | CKIJIGYDFNXSET-UHFFFAOYSA-N |
| Molecular Formula | C15H21NO9S2 |
| Exact Mass | 423.461 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 4.0 International (CC BY-NC 4.0) |
| Id | 619c08a0-3950-4031-87f0-251a68bb2743 |
| Package id | msbnk-riken_respect-ps107910 |
| Resource type | HTML |
| State | active |