DGMG 18:3
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309172
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR309172 contains the MS2 mass spectrum of DGMG 18:3 with the InChIkey MPSGDHOYFIUPSO-UHFFFAOYSA-N.
Source: DGMG 18:3
Chemical Info
| InChI | InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3 |
|---|---|
| SMILES | O=C(OCC(O)COC2OC(COC1OC(CO)C(O)C(O)C1(O))C(O)C(O)C2(O))CCCCCCCC=CCC=CCC=CCC |
| InChI Key | MPSGDHOYFIUPSO-UHFFFAOYSA-N |
| Molecular Formula | C33H56O14 |
| Exact Mass | 676.797 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 | cdc4d31a-3792-46a9-aca3-4510cafa1d35 |
| Package id | msbnk-riken-pr309172 |
| Resource type | HTML |
| State | active |