4-O-Caffeoylquinic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PM000302
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PM000302 contains the MS2 mass spectrum of 4-O-Caffeoylquinic acid with the InChIkey GYFFKZTYYAFCTR-UHFFFAOYSA-N.
Source: 4-O-Caffeoylquinic acid
Chemical Info
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23) |
|---|---|
| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(O)(C(=O)O)CC1O |
| InChI Key | GYFFKZTYYAFCTR-UHFFFAOYSA-N |
| Molecular Formula | C16H18O9 |
| Exact Mass | 354.311 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 | 296ed422-e03b-4d29-894a-893c2a923576 |
| Package id | msbnk-riken_respect-pm000302 |
| Resource type | HTML |
| State | active |