Dataset
Cnicin.apt
Chemical Info
| InChI | InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5-,14-8+/t15-,16+,17+,18+/m1/s1 |
|---|---|
| SMILES | C=C1C(=O)O[C@H]2/C=C(/CO)CC/C=C(/C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]12 |
| InChI Key | ZTDFZLVUIVPZDU-NRSQRZTFSA-N |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p42.s237.d1363 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D1363 |
| Version | |
| Author | Peter Spiteller |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T15:48:02.347433 |
| MetadataModified | 2024-09-23T09:29:32.063333 |
| MetadataPublished | 2023-12-24 21:57:47 |
| Related Molecule |