Chlorogenic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00625
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00625 contains the MS2 mass spectrum of Chlorogenic acid with the InChIkey CWVRJTMFETXNAD-JUHZACGLSA-N.
Source: Chlorogenic acid
Chemical Info
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O |
| InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Molecular Formula | C16H18O9 |
| Exact Mass | 354.095 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 4.0 International (CC BY-NC 4.0) |
| Id | 5f6aa1a0-c7ff-416c-9cd9-bf46e8ce3b9e |
| Package id | msbnk-fiocruz-fio00625 |
| Resource type | HTML |
| State | active |