isorhamnetin-3-O-rutinoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301914
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301914 contains the MS2 mass spectrum of isorhamnetin-3-O-rutinoside with the InChIkey UIDGLYUNOUKLBM-GEBJFKNCSA-N.
Source: isorhamnetin-3-O-rutinoside
Chemical Info
| InChI | InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1 |
|---|---|
| SMILES | COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O)C=C2O1 |
| InChI Key | UIDGLYUNOUKLBM-GEBJFKNCSA-N |
| Molecular Formula | C28H32O16 |
| Exact Mass | 624.548 g/mol |
There are no views created for this resource yet.
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 | ef56a540-4203-438b-8336-17284ac7a874 |
| Package id | msbnk-riken-pr301914 |
| Resource type | HTML |
| State | active |