Kaempferol-7-neohesperidoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00176
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00176 contains the MS2 mass spectrum of Kaempferol-7-neohesperidoside with the InChIkey ZEJXENDZTYVXDP-CSJHBIPPSA-N.
Source: Kaempferol-7-neohesperidoside
Chemical Info
| InChI | InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1 |
|---|---|
| SMILES | O([C@H]5C)[C@H]([C@@H]([C@@H]([C@H]5O)O)O)O[C@H]([C@H]4O)[C@@H](O[C@@H]([C@H]4O)CO)Oc(c3)cc(O1)c(c3O)C(C(=C(c(c2)ccc(O)c2)1)O)=O |
| InChI Key | ZEJXENDZTYVXDP-CSJHBIPPSA-N |
| Molecular Formula | C27H30O15 |
| Exact Mass | 594.158 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 | f8d332aa-997f-4e29-9ead-a6740b2392e3 |
| Package id | msbnk-fiocruz-fio00176 |
| Resource type | HTML |
| State | active |