Erythromycin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU105405
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU105405 contains the MS2 mass spectrum of Erythromycin with the InChIkey ULGZDMOVFRHVEP-RWJQBGPGSA-N.
Source: Erythromycin
Chemical Info
| InChI | InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O |
| InChI Key | ULGZDMOVFRHVEP-RWJQBGPGSA-N |
| Molecular Formula | C37H67NO13 |
| Exact Mass | 733.461 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 | cfef078f-4293-4b1a-a7fd-054adf206660 |
| Package id | msbnk-athens_univ-au105405 |
| Resource type | HTML |
| State | active |