Soyasaponin Ba
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308355
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308355 contains the MS2 mass spectrum of Soyasaponin Ba with the InChIkey WFRQIKSNAYYUJZ-UHFFFAOYSA-N.
Source: Soyasaponin Ba
Chemical Info
| InChI | InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61) |
|---|---|
| SMILES | CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1 |
| InChI Key | WFRQIKSNAYYUJZ-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 | 28296924-318d-4180-8b6a-c8be18f52009 |
| Package id | msbnk-riken-pr308355 |
| Resource type | HTML |
| State | active |