Phillyrin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308045
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308045 contains the MS2 mass spectrum of Phillyrin with the InChIkey KFFCKOBAHMGTMW-UHFFFAOYSA-N.
Source: Phillyrin
Chemical Info
| InChI | InChI=1S/C27H34O11/c1-32-17-6-4-13(8-19(17)33-2)25-15-11-36-26(16(15)12-35-25)14-5-7-18(20(9-14)34-3)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,15-16,21-31H,10-12H2,1-3H3 |
|---|---|
| SMILES | COC1=C(OC)C=C(C=C1)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1 |
| InChI Key | KFFCKOBAHMGTMW-UHFFFAOYSA-N |
| Molecular Formula | C27H34O11 |
| Exact Mass | 534.558 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 | 39721d84-4736-4177-8339-67c5412705c2 |
| Package id | msbnk-riken-pr308045 |
| Resource type | HTML |
| State | active |