Flavonol base + 3O, O-Hex-Hex, O-Hex-Hex-Feruloyl
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310940
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR310940 contains the MS2 mass spectrum of Flavonol base + 3O, O-Hex-Hex, O-Hex-Hex-Feruloyl with the InChIkey KFEVJAZSURUKLX-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C49H58O29/c1-68-23-10-17(2-8-21(23)55)3-9-29(57)75-44-36(63)32(59)26(14-51)72-48(44)78-45-37(64)33(60)27(15-52)73-49(45)77-43-34(61)30-22(56)11-20(12-24(30)70-41(43)18-4-6-19(54)7-5-18)69-46-40(67)38(65)42(28(16-53)74-46)76-47-39(66)35(62)31(58)25(13-50)71-47/h2-12,25-28,31-33,35-40,42,44-56,58-60,62-67H,13-16H2,1H3 |
|---|---|
| SMILES | O=C(OC1C(OC(CO)C(O)C1(O))OC7C(OC=5C(=O)C6=C(O)C=C(OC3OC(CO)C(OC2OC(CO)C(O)C(O)C2(O))C(O)C3(O))C=C6(OC=5(C4=CC=C(O)C=C4)))OC(CO)C(O)C7(O))C=CC=8C=CC(O)=C(OC)C=8 |
| InChI Key | KFEVJAZSURUKLX-UHFFFAOYSA-N |
| Molecular Formula | C49H58O29 |
| Exact Mass | 1110.974 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 | ceeea7a6-21c1-4110-aa8a-ce5074074846 |
| Package id | msbnk-riken-pr310940 |
| Resource type | HTML |
| State | active |