Cosmosiin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310947
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR310947 contains the MS2 mass spectrum of Cosmosiin with the InChIkey KMOUJOKENFFTPU-QNDFHXLGSA-N.
Source: Cosmosiin
Chemical Info
| InChI | InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
| InChI Key | KMOUJOKENFFTPU-QNDFHXLGSA-N |
| Molecular Formula | C21H20O10 |
| Exact Mass | 432.106 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 0b19cbc1-6e49-4811-aa4a-5fc8d1650095 |
| Package id | msbnk-riken-pr310947 |
| Resource type | HTML |
| State | active |