(-)-B-Hydrastine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301198
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301198 contains the MS2 mass spectrum of (-)-B-Hydrastine with the InChIkey JZUTXVTYJDCMDU-MOPGFXCFSA-N.
Source: (-)-B-Hydrastine
Chemical Info
| InChI | InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1 |
|---|---|
| SMILES | COC1=C(OC)C2=C(C=C1)[C@H](OC2=O)[C@@H]1N(C)CCC2=CC3=C(OCO3)C=C12 |
| InChI Key | JZUTXVTYJDCMDU-MOPGFXCFSA-N |
| Molecular Formula | C21H21NO6 |
| Exact Mass | 383.400 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 | b099c09f-16f8-4ea2-87b4-0b5c35a07cbb |
| Package id | msbnk-riken-pr301198 |
| Resource type | HTML |
| State | active |