Reserpic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301751
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301751 contains the MS2 mass spectrum of Reserpic acid with the InChIkey JVHNBFFHWQQPLL-WOXROFTLSA-N.
Source: Reserpic acid
Chemical Info
| InChI | InChI=1S/C22H28N2O5/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27)/t11-,15+,17-,18-,19+,21+/m1/s1 |
|---|---|
| SMILES | CO[C@H]1[C@H](O)C[C@@H]2CN3CCC4=C(NC5=C4C=CC(OC)=C5)[C@H]3C[C@@H]2[C@@H]1C(O)=O |
| InChI Key | JVHNBFFHWQQPLL-WOXROFTLSA-N |
| Molecular Formula | C22H28N2O5 |
| Exact Mass | 400.475 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 | c2879be7-846c-44c5-8a45-9c714e8a32d1 |
| Package id | msbnk-riken-pr301751 |
| Resource type | HTML |
| State | active |