Diosmetin-7-O-neohesperidoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302672
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302672 contains the MS2 mass spectrum of Diosmetin-7-O-neohesperidoside with the InChIkey VCCNKWWXYVWTLT-LOYITBPBSA-N.
Source: Diosmetin-7-O-neohesperidoside
Chemical Info
| InChI | InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26?,27-,28?/m0/s1 |
|---|---|
| SMILES | COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3O[C@H](CO)[C@@H](O)[C@H](O)C3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O1 |
| InChI Key | VCCNKWWXYVWTLT-LOYITBPBSA-N |
| Molecular Formula | C28H32O15 |
| Exact Mass | 608.549 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 | f6b7eb32-555d-41d9-b7c5-b8d7b88362c6 |
| Package id | msbnk-riken-pr302672 |
| Resource type | HTML |
| State | active |