isorhamnetin-3-glucoside-4'-glucoside...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR306800
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR306800 contains the MS2 mass spectrum of isorhamnetin-3-glucoside-4'-glucoside (Isorhamnetin 3,4'-diglucoside) with the InChIkey...
Source: isorhamnetin-3-glucoside-4'-glucoside (Isorhamnetin 3,4'-diglucoside)
Chemical Info
| InChI | InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3 |
|---|---|
| SMILES | COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 |
| InChI Key | VKVBSQRURLRCHO-UHFFFAOYSA-N |
| Molecular Formula | C28H32O17 |
| Exact Mass | 640.547 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 | 48a3f3ed-4ecd-443c-bd76-a06dd2015465 |
| Package id | msbnk-riken-pr306800 |
| Resource type | HTML |
| State | active |