Rhoeadine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301683
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301683 contains the MS2 mass spectrum of Rhoeadine with the InChIkey XRBIHOLQAKITPP-SBHAEUEKSA-N.
Source: Rhoeadine; LC-ESI-QTOF; MS2
Chemical Info
| InChI | InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1 |
|---|---|
| SMILES | CO[C@H]1O[C@H]2[C@H](N(C)CCC3=CC4=C(OCO4)C=C23)C2=C1C1=C(OCO1)C=C2 |
| InChI Key | XRBIHOLQAKITPP-SBHAEUEKSA-N |
| 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 | 53783b9e-172f-4420-a282-b1acadd8070a |
| Package id | msbnk-riken-pr301683 |
| Resource type | HTML |
| State | active |