Gardnutine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300185
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300185 contains the MS2 mass spectrum of Gardnutine with the InChIkey XJTWLFBHBFSVRS-CRJBWSHOSA-N.
Source: Gardnutine
Chemical Info
| InChI | InChI=1S/C20H22N2O2/c1-3-10-8-22-16-7-13(10)14-9-24-20(19(14)22)17-12-5-4-11(23-2)6-15(12)21-18(16)17/h3-6,13-14,16,19-21H,7-9H2,1-2H3/b10-3-/t13?,14?,16-,19+,20+/m0/s1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C1=C(N2)[C@@H]2CC3C4CO[C@H]1[C@@H]4N2C\C3=C\C |
| InChI Key | XJTWLFBHBFSVRS-CRJBWSHOSA-N |
| Molecular Formula | C20H22N2O2 |
| Exact Mass | 322.408 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 | 93132a98-363a-40df-be87-2a21335ecc57 |
| Package id | msbnk-riken-pr300185 |
| Resource type | HTML |
| State | active |