Sennoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01329
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01329 contains the MS2 mass spectrum of Sennoside with the InChIkey IPQVTOJGNYVQEO-UHFFFAOYSA-N.
Source: Sennoside
Chemical Info
| InChI | InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58) |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O |
| InChI Key | IPQVTOJGNYVQEO-UHFFFAOYSA-N |
| Molecular Formula | C42H38O20 |
| Exact Mass | 862.196 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 2bde2eac-5494-42ba-ae2f-aae92d3cbb75 |
| Package id | msbnk-washington_state_univ-bml01329 |
| Resource type | HTML |
| State | active |