Roridin A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000557
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000557 contains the MS2 mass spectrum of Roridin A with the InChIkey NSFWWJIQIKBZMJ-PAGWOCKZSA-N.
Source: Roridin A
Chemical Info
| InChI | InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1 |
|---|---|
| SMILES | C[C@@H]1CCO[C@H](/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4)[C@@H](C)O |
| InChI Key | NSFWWJIQIKBZMJ-PAGWOCKZSA-N |
| Molecular Formula | C29H40O9 |
| Exact Mass | 532.267 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 | 6affc78f-4c20-46d6-a566-05b8ded66ee7 |
| Package id | msbnk-aafc-ac000557 |
| Resource type | HTML |
| State | active |