Lagochiline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00786
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00786 contains the MS2 mass spectrum of Lagochiline with the InChIkey XYPPDQHBNJURHU-UHFFFAOYSA-N.
Source: Lagochiline
Chemical Info
| InChI | InChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3 |
|---|---|
| SMILES | CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC(C2(C)CO)O)C |
| InChI Key | XYPPDQHBNJURHU-UHFFFAOYSA-N |
| Molecular Formula | C20H36O5 |
| Exact Mass | 356.256 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 64855638-ee4c-401a-858e-964785c07e80 |
| Package id | msbnk-washington_state_univ-bml00786 |
| Resource type | HTML |
| State | active |