Convallatoxin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001713
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001713 contains the MS mass spectrum of Convallatoxin with the InChIkey HULMNSIAKWANQO-JQKSAQOKSA-N.
Source: Convallatoxin
Chemical Info
| InChI | InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1 |
|---|---|
| SMILES | C(=O)(C=1)OCC1C(C(C)62)CCC(O)2C(C5)([H])C(CC6)([H])C(C3)(C(O)(C5)CC(OC(C(O)4)(OC(C)C(O)C4O)[H])C3)C=O |
| InChI Key | HULMNSIAKWANQO-JQKSAQOKSA-N |
| Molecular Formula | C29H42O10 |
| Exact Mass | 550.278 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 4.0 International (CC BY-NC 4.0) |
| Id | e0e4d7ab-8264-4b2e-ab87-1cb1d446f20b |
| Package id | msbnk-waters-wa001713 |
| Resource type | HTML |
| State | active |