Milbemycin A3
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000150
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000150 contains the MS2 mass spectrum of Milbemycin A3 with the InChIkey ZLBGSRMUSVULIE-GSMJGMFJSA-N.
Source: Milbemycin A3
Chemical Info
| InChI | InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1 |
|---|---|
| SMILES | C(C(O)43)(C5)=CC=CC(C)CC(=CCC(C2)(OC(C1)(CC2(OC(=O)C(C=C(C(O)C4(O5)[H])C)3[H])[H])OC(C)C(C1)C)[H])C |
| InChI Key | ZLBGSRMUSVULIE-GSMJGMFJSA-N |
| Molecular Formula | C31H44O7 |
| Exact Mass | 528.309 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 | 68a56590-12cc-4040-bd1a-c227b79a0667 |
| Package id | msbnk-waters-wa000150 |
| Resource type | HTML |
| State | active |