isosakuranetin-7-O-neohesperidoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302124
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302124 contains the MS2 mass spectrum of isosakuranetin-7-O-neohesperidoside with the InChIkey NLAWPKPYBMEWIR-SKYQDXIQSA-N.
Chemical Info
| InChI | InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O1 |
| InChI Key | NLAWPKPYBMEWIR-SKYQDXIQSA-N |
| Molecular Formula | C28H34O14 |
| Exact Mass | 594.566 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 | ef969eb1-368d-4613-ad35-87b9dc7904a2 |
| Package id | msbnk-riken-pr302124 |
| Resource type | HTML |
| State | active |