Plantaginin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303692
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303692 contains the MS2 mass spectrum of Plantaginin with the InChIkey VUGRLRAUZWGZJP-IAAKTDFRSA-N.
Source: Plantaginin
Chemical Info
| InChI | InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21-/m1/s1 |
|---|---|
| SMILES | OC[C@H]1O[C@@H](OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI Key | VUGRLRAUZWGZJP-IAAKTDFRSA-N |
| Molecular Formula | C21H20O11 |
| Exact Mass | 448.380 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 | 50c182e0-5521-4c78-9ad3-5ea42fd74e1d |
| Package id | msbnk-riken-pr303692 |
| Resource type | HTML |
| State | active |