Echinocystic acid-3-O-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305314
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR305314 contains the MS2 mass spectrum of Echinocystic acid-3-O-glucoside with the InChIkey WYDPEADEZMZKNM-UHFFFAOYSA-N.
Source: Echinocystic acid-3-O-glucoside
Chemical Info
| InChI | InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43) |
|---|---|
| SMILES | CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O |
| InChI Key | WYDPEADEZMZKNM-UHFFFAOYSA-N |
| Molecular Formula | C36H58O9 |
| Exact Mass | 634.851 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 | d83346dd-b0b4-4b0a-8036-ced4ffb26ef7 |
| Package id | msbnk-riken-pr305314 |
| Resource type | HTML |
| State | active |