Alternaric acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000648
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000648 contains the MS2 mass spectrum of Alternaric acid with the InChIkey OFVHHCDOMZQVQV-ZICDYRIUSA-N.
Source: Alternaric acid
Chemical Info
| InChI | InChI=1S/C21H30O8/c1-5-13(3)18(24)21(28,20(26)27)10-6-7-12(2)8-9-15(22)17-16(23)11-14(4)29-19(17)25/h6,10,13-14,17-18,24,28H,2,5,7-9,11H2,1,3-4H3,(H,26,27)/b10-6+/t13-,14+,17?,18+,21-/m0/s1 |
|---|---|
| SMILES | CC[C@H](C)[C@H]([C@@](/C=C/CC(=C)CCC(=O)C1C(=O)C[C@H](OC1=O)C)(C(=O)O)O)O |
| InChI Key | OFVHHCDOMZQVQV-ZICDYRIUSA-N |
| Molecular Formula | C21H30O8 |
| Exact Mass | 410.194 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 | a916c631-13e2-49f6-9e75-9cdeb4a4de00 |
| Package id | msbnk-aafc-ac000648 |
| Resource type | HTML |
| State | active |