6'-Malonyl Ononin (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001013
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001013 contains the MS2 mass spectrum of 6'-Malonyl Ononin (NMR) with the InChIkey RDTAGQKYPGLCBK-GOZZSVHWSA-N.
Source: 6'-Malonyl Ononin (NMR)
Chemical Info
| InChI | InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18-,22-,23+,24-,25-/m1/s1 |
|---|---|
| SMILES | C1(=CC=C2C(=C1)OC=C(C2=O)C3=CC=C(OC)C=C3)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(CC(O)=O)=O |
| InChI Key | RDTAGQKYPGLCBK-GOZZSVHWSA-N |
| Molecular Formula | C25H24O12 |
| Exact Mass | 516.127 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 | edee45fa-d52d-4528-a12e-5dcb8267025c |
| Package id | msbnk-bs-bs001013 |
| Resource type | HTML |
| State | active |