Scutellarein-7-glucuronide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003566
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003566 contains the MS2 mass spectrum of Scutellarein-7-glucuronide with the InChIkey DJSISFGPUUYILV-ZFORQUDYSA-N.
Source: Scutellarein-7-glucuronide
Chemical Info
| InChI | InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/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)C(=O)O)O)O)O)O)O)O |
| InChI Key | DJSISFGPUUYILV-ZFORQUDYSA-N |
| Molecular Formula | C21H18O12 |
| Exact Mass | 462.080 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 | 81bcae86-21d5-4c71-9542-a7051d77a406 |
| Package id | msbnk-bs-bs003566 |
| Resource type | HTML |
| State | active |