Moxidectin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU114402
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU114402 contains the MS2 mass spectrum of Moxidectin with the InChIkey YZBLFMPOMVTDJY-LSGXYNIPSA-N.
Source: Moxidectin
Chemical Info
| InChI | InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1 |
|---|---|
| SMILES | C[C@@H]\1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)C/C(=N\OC)/[C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C |
| InChI Key | YZBLFMPOMVTDJY-LSGXYNIPSA-N |
| Molecular Formula | C37H53NO8 |
| Exact Mass | 639.377 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 | 8887b8a5-f1f1-47f8-96f6-4ac46459c165 |
| Package id | msbnk-athens_univ-au114402 |
| Resource type | HTML |
| State | active |