Cynarin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307566
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307566 contains the MS2 mass spectrum of Cynarin with the InChIkey YDDUMTOHNYZQPO-UHFFFAOYSA-N.
Source: Cynarin
Chemical Info
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35) |
|---|---|
| SMILES | OC1CC(CC(OC(=O)C=CC2=CC(O)=C(O)C=C2)C1O)(OC(=O)C=CC1=CC(O)=C(O)C=C1)C(O)=O |
| InChI Key | YDDUMTOHNYZQPO-UHFFFAOYSA-N |
| Molecular Formula | C25H24O12 |
| Exact Mass | 516.455 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 | aeb624c9-7695-4631-a3af-6cf735ad948e |
| Package id | msbnk-riken-pr307566 |
| Resource type | HTML |
| State | active |