Flavone base + 3O, 1MeO, O-HexA-FeruloylHexA
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR311029
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR311029 contains the MS2 mass spectrum of Flavone base + 3O, 1MeO, O-HexA-FeruloylHexA with the InChIkey CQSOKHCNRZFEOH-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C38H36O21/c1-52-22-9-14(3-6-17(22)39)4-8-25(43)56-33-29(46)27(44)32(36(50)51)58-38(33)59-34-30(47)28(45)31(35(48)49)57-37(34)54-16-11-19(41)26-20(42)13-21(55-24(26)12-16)15-5-7-18(40)23(10-15)53-2/h3-13,27-34,37-41,44-47H,1-2H3,(H,48,49)(H,50,51) |
|---|---|
| SMILES | O=C(OC1C(OC(C(=O)O)C(O)C1(O))OC5C(OC2=CC(O)=C3C(=O)C=C(OC3(=C2))C=4C=CC(O)=C(OC)C=4)OC(C(=O)O)C(O)C5(O))C=CC=6C=CC(O)=C(OC)C=6 |
| InChI Key | CQSOKHCNRZFEOH-UHFFFAOYSA-N |
| Molecular Formula | C38H36O21 |
| Exact Mass | 828.685 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 | 2e1dd99b-29c3-4927-9f7b-f1fa691f515f |
| Package id | msbnk-riken-pr311029 |
| Resource type | HTML |
| State | active |