Hesperidin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00485
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00485 contains the MS2 mass spectrum of Hesperidin with the InChIkey QUQPHWDTPGMPEX-QJBIFVCTSA-N.
Source: Hesperidin
Chemical Info
| InChI | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
| InChI Key | QUQPHWDTPGMPEX-QJBIFVCTSA-N |
| Molecular Formula | C28H34O15 |
| Exact Mass | 610.190 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 4.0 International (CC BY-NC 4.0) |
| Id | 9d273883-a250-4007-aeee-181510812b9b |
| Package id | msbnk-fiocruz-fio00485 |
| Resource type | HTML |
| State | active |