Flavonol base + 3O, O-Hex+C6H9O4
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309241
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR309241 contains the MS2 mass spectrum of Flavonol base + 3O, O-Hex+C6H9O4 with the InChIkey ZALWWUJLKFBCQF-UHFFFAOYSA-N.
Source: Flavonol base + 3O, O-Hex+C6H9O4
Chemical Info
| InChI | InChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32) |
|---|---|
| SMILES | O=C(O)CC(O)(C)CC(=O)OCC4OC(OC=2C(=O)C3=C(O)C=C(O)C=C3(OC=2(C1=CC=C(O)C=C1)))C(O)C(O)C4(O) |
| InChI Key | ZALWWUJLKFBCQF-UHFFFAOYSA-N |
| Molecular Formula | C27H28O15 |
| Exact Mass | 592.506 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 | 0645dce5-3eb8-4445-8a6d-e73ab989fc02 |
| Package id | msbnk-riken-pr309241 |
| Resource type | HTML |
| State | active |