Isobavachin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003460
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003460 contains the MS2 mass spectrum of Isobavachin with the InChIkey KYFBXCHUXFKMGQ-IBGZPJMESA-N.
Source: Isobavachin
Chemical Info
| InChI | InChI=1S/C20H20O4/c1-12(2)3-8-15-17(22)10-9-16-18(23)11-19(24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-10,19,21-22H,8,11H2,1-2H3/t19-/m0/s1 |
|---|---|
| SMILES | C(C(=C(C(C1=C(C(=C(C2=C1OC(C(C2=O)([H])[H])(C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])[H])[H])[H])O[H])([H])[H])[H])C([H])([H])[H])([H])([H])[H] |
| InChI Key | KYFBXCHUXFKMGQ-IBGZPJMESA-N |
| Molecular Formula | C20H20O4 |
| Exact Mass | 324.136 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 | 6f4cf1fa-ad23-4679-bd3a-3dde47984b4a |
| Package id | msbnk-bs-bs003460 |
| Resource type | HTML |
| State | active |