4-Malonyl ononin (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001173
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001173 contains the MS2 mass spectrum of 4-Malonyl ononin (NMR) with the InChIkey QMHKWODSZRYFTD-FSIWAFGDSA-N.
Source: 4-Malonyl ononin (NMR)
Chemical Info
| InChI | InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-11-34-17-8-14(6-7-15(17)21(16)30)35-25-23(32)22(31)24(18(10-26)36-25)37-20(29)9-19(27)28/h2-8,11,18,22-26,31-32H,9-10H2,1H3,(H,27,28)/t18-,22-,23-,24-,25-/m1/s1 |
|---|---|
| SMILES | C1(=CC=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)OC)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)OC(=O)CC(O)=O)CO |
| InChI Key | QMHKWODSZRYFTD-FSIWAFGDSA-N |
| Molecular Formula | C25H24O12 |
| Exact Mass | 516.127 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 | eb4af56a-7839-496c-af71-04d1d5add982 |
| Package id | msbnk-bs-bs001173 |
| Resource type | HTML |
| State | active |