Andrastin D
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000822
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000822 contains the MS2 mass spectrum of Andrastin D with the InChIkey SMUNNMAWNRFDPB-UWWAQUNASA-N.
Source: Andrastin D
Chemical Info
| InChI | InChI=1S/C26H36O5/c1-14-13-17-23(5)11-10-18(27)22(3,4)16(23)9-12-24(17,6)26(21(30)31-8)20(29)15(2)19(28)25(14,26)7/h13,16-17,28H,9-12H2,1-8H3/t16-,17+,23-,24+,25+,26-/m1/s1 |
|---|---|
| SMILES | CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3CC[C@@]2([C@]4([C@@]1(C(=C(C4=O)C)O)C)C(=O)OC)C)(C)C)C |
| InChI Key | SMUNNMAWNRFDPB-UWWAQUNASA-N |
| Molecular Formula | C26H36O5 |
| Exact Mass | 428.256 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 | aafb67e9-36ab-454e-b2c3-181c2cc78819 |
| Package id | msbnk-aafc-ac000822 |
| Resource type | HTML |
| State | active |