Aloin A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA000910
Dataset description:
This MassBank record with Accession MSBNK-NaToxAq-NA000910 contains the MS2 mass spectrum of Aloin A with the InChIkey AFHJQYHRLPMKHU-OSYMLPPYSA-N.
Chemical Info
| InChI | InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1 |
|---|---|
| SMILES | c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)CO)[C@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChI Key | AFHJQYHRLPMKHU-OSYMLPPYSA-N |
| Exact Mass | 418.126 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 4.0 International (CC BY 4.0) |
| Id | e14a236b-d096-4407-9aab-fb70943d1e99 |
| Package id | msbnk-natoxaq-na000910 |
| Resource type | HTML |
| State | active |