Secoisolariciresinol diglucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307923
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307923 contains the MS2 mass spectrum of Secoisolariciresinol diglucoside with the InChIkey SBVBJPHMDABKJV-UHFFFAOYSA-N.
Source: Secoisolariciresinol diglucoside
Chemical Info
| InChI | InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3 |
|---|---|
| SMILES | COC1=C(O)C=CC(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=C1 |
| InChI Key | SBVBJPHMDABKJV-UHFFFAOYSA-N |
| Molecular Formula | C32H46O16 |
| Exact Mass | 686.704 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 | 4785a5bb-82f1-4dd8-891a-56af29d35494 |
| Package id | msbnk-riken-pr307923 |
| Resource type | HTML |
| State | active |