Germbudine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305038
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR305038 contains the MS2 mass spectrum of Germbudine with the InChIkey LWSPRPDSPCBAKK-UHFFFAOYSA-N.
Source: Germbudine
Chemical Info
| InChI | InChI=1S/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3 |
|---|---|
| SMILES | CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(CC(O)C3C12O)C4(C)CCC5OC(=O)C(C)(O)C(C)O |
| InChI Key | LWSPRPDSPCBAKK-UHFFFAOYSA-N |
| Molecular Formula | C37H59NO12 |
| Exact Mass | 709.874 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 | f5408f30-9f1e-442e-b1fb-18e745bd317f |
| Package id | msbnk-riken-pr305038 |
| Resource type | HTML |
| State | active |