isosakuranetin-7-O-rutinoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302199
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302199 contains the MS2 mass spectrum of isosakuranetin-7-O-rutinoside with the InChIkey RMCRQBAILCLJGU-HIBKWJPLSA-N.
Source: isosakuranetin-7-O-rutinoside
Chemical Info
| InChI | InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,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]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1 |
| InChI Key | RMCRQBAILCLJGU-HIBKWJPLSA-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 | f2b0b043-ef9d-4b4e-8616-1a1795c06b3b |
| Package id | msbnk-riken-pr302199 |
| Resource type | HTML |
| State | active |