Milbemycin A4
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000155
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000155 contains the MS2 mass spectrum of Milbemycin A4 with the InChIkey VOZIAWLUULBIPN-LRBNAKOISA-N.
Source: Milbemycin A4
Chemical Info
| InChI | InChI=1S/C32H46O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27+,28+,29+,31+,32+/m0/s1 |
|---|---|
| SMILES | C(C14O)([H])(O5)C(O)C(=CC1(C(OC(C2)([H])CC(CC=C(C)CC(C)C=CC=C4C5)(OC(O3)2CCC(C)C3CC)[H])=O)[H])C |
| InChI Key | VOZIAWLUULBIPN-LRBNAKOISA-N |
| Molecular Formula | C32H46O7 |
| Exact Mass | 542.324 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 | 7d50173d-ab29-40ed-8fd2-5e755fd01f79 |
| Package id | msbnk-waters-wa000155 |
| Resource type | HTML |
| State | active |