Asiaticoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308700
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308700 contains the MS2 mass spectrum of Asiaticoside with the InChIkey WYQVAPGDARQUBT-UHFFFAOYSA-N.
Source: Asiaticoside
Chemical Info
| InChI | InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3 |
|---|---|
| SMILES | CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| InChI Key | WYQVAPGDARQUBT-UHFFFAOYSA-N |
| Molecular Formula | C48H78O19 |
| Exact Mass | 959.133 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 | 7e36730b-d339-49a7-aea0-0bbff35bf6c6 |
| Package id | msbnk-riken-pr308700 |
| Resource type | HTML |
| State | active |