S4:17(P3:15/F1:2)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309008
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR309008 contains the MS2 mass spectrum of S4:17(P3:15/F1:2) with the InChIkey AKPIJPQIDBGCGR-UHFFFAOYSA-N.
Source: S4:17(P3:15/F1:2)
Chemical Info
| InChI | InChI=1S/C29H48O15/c1-5-8-11-20(34)40-23-18(14-30)39-28(44-29(16-32)27(37)24(38-17(4)33)19(15-31)43-29)26(42-22(36)13-10-7-3)25(23)41-21(35)12-9-6-2/h18-19,23-28,30-32,37H,5-16H2,1-4H3 |
|---|---|
| SMILES | CCCCC(=O)OC1C(CO)OC(OC2(CO)OC(CO)C(OC(C)=O)C2O)C(OC(=O)CCCC)C1OC(=O)CCCC |
| InChI Key | AKPIJPQIDBGCGR-UHFFFAOYSA-N |
| Molecular Formula | C29H48O15 |
| Exact Mass | 636.688 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 | 3f1afff7-c0ef-4785-8781-c504a9139c98 |
| Package id | msbnk-riken-pr309008 |
| Resource type | HTML |
| State | active |