Shikimic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01061
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01061 contains the MS2 mass spectrum of Shikimic acid with the InChIkey JXOHGGNKMLTUBP-UHFFFAOYSA-N.
Source: Shikimic acid
Chemical Info
| InChI | InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12) |
|---|---|
| SMILES | C1C(C(C(C=C1C(=O)O)O)O)O |
| InChI Key | JXOHGGNKMLTUBP-UHFFFAOYSA-N |
| Molecular Formula | C7H10O5 |
| Exact Mass | 174.053 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 0752e9c2-e6ed-441c-9c9c-411ae29a3eaf |
| Package id | msbnk-washington_state_univ-bml01061 |
| Resource type | HTML |
| State | active |