Soyasaponin Bb
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308369
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308369 contains the MS2 mass spectrum of Soyasaponin Bb with the InChIkey PTDAHAWQAGSZDD-UHFFFAOYSA-N.
Source: Soyasaponin Bb
Chemical Info
| InChI | InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60) |
|---|---|
| SMILES | CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O |
| InChI Key | PTDAHAWQAGSZDD-UHFFFAOYSA-N |
| Molecular Formula | C48H78O18 |
| Exact Mass | 943.134 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 | 7bec1366-dde7-4c50-903e-cb642f3cc868 |
| Package id | msbnk-riken-pr308369 |
| Resource type | HTML |
| State | active |