Myriocin-12-en
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00787
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00787 contains the MS2 mass spectrum of Myriocin-12-en with the InChIkey AHRPEPPVBKPDJQ-LEBSLOHFSA-N.
Source: Myriocin-12-en
Chemical Info
| InChI | InChI=1S/C21H37NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,11-12,14,18-19,23,25-26H,2-8,10,13,15-16,22H2,1H3,(H,27,28)/b12-9+,14-11+/t18-,19+,21+/m1/s1 |
|---|---|
| SMILES | CCCCCCC(=O)C=CCCCCC=CC[C@@H](O)[C@H](O)[C@@](N)(CO)C(O)=O |
| InChI Key | AHRPEPPVBKPDJQ-LEBSLOHFSA-N |
| Molecular Formula | C21H37NO6 |
| Exact Mass | 399.262 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 | 6ea03ec2-8f2e-4b89-b3b2-f05cc1227a11 |
| Package id | msbnk-fiocruz-fio00787 |
| Resource type | HTML |
| State | active |