Fumonisin Py2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000940
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000940 contains the MS2 mass spectrum of Fumonisin Py2 with the InChIkey GZCJIEXTWGJVIN-MKHOGIGVSA-N.
Source: Fumonisin Py2
Chemical Info
| InChI | InChI=1S/C34H56O15/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-21,23-27,32,36-37H,5-19H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,23+,24+,25+,26-,27-,32+/m0/s1 |
|---|---|
| SMILES | CCCC[C@H]([C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)[C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)C[C@H](CCCCCC[C@@H](O)C[C@H](O)C(C)=O)C)C |
| InChI Key | GZCJIEXTWGJVIN-MKHOGIGVSA-N |
| Molecular Formula | C34H56O15 |
| Exact Mass | 704.362 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 | f89a0c45-800e-4514-9065-a4160894b188 |
| Package id | msbnk-aafc-ac000940 |
| Resource type | HTML |
| State | active |