Dataset
rosmarinic acid.hsqc
Chemical Info
| InChI | InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 |
|---|---|
| SMILES | O=C(/C=C/C1=CC=C(O)C(O)=C1)O[C@H](CC1=CC=C(O)C(O)=C1)C(=O)O |
| InChI Key | DOUMFZQKYFQNTF-WUTVXBCWSA-N |
| Molecular Formula | C18H16O8 |
| Exact Mass | 360.300 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p38.s230.d1328 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D1328 |
| Version | |
| Author | Ying Ying Gao, Hans‐Ullrich Siehl, Heike Petzold, Dieter Sicker, Klaus‐Peter Zeller, Stefan Berger |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T15:32:51.121368 |
| MetadataModified | 2024-09-23T09:27:58.279416 |
| MetadataPublished | 2023-12-21 16:00:27 |
| Related Molecule |