alpha-Solanine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308430
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308430 contains the MS2 mass spectrum of alpha-Solanine with the InChIkey ZGVSETXHNHBTRK-UHFFFAOYSA-N.
Source: alpha-Solanine
Chemical Info
| InChI | InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3 |
|---|---|
| SMILES | CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O |
| InChI Key | ZGVSETXHNHBTRK-UHFFFAOYSA-N |
| Molecular Formula | C45H73NO15 |
| Exact Mass | 868.071 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 | 43bf7113-ea81-4828-b312-78b1bbbecf68 |
| Package id | msbnk-riken-pr308430 |
| Resource type | HTML |
| State | active |