Molecule
Digitoxin; LC-ESI-Q; MS; POS; 15 V
Digitoxin; LC-ESI-Q; MS; POS; 30 V
Digitoxin; LC-ESI-Q; MS; POS; 45 V
Digitoxin; LC-ESI-Q; MS; POS; 60 V, 90 V
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Chemical Information
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol8273 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB01396 | drugbank |
| CHEBI:28544 | chebi |
| LMST01120018 | lipidmaps |
| F9R | rcsb_pdb |
| CHEMBL254219 | chembl |
| 20940 | surechembl |
| 441207 | pubchem |
| E90NZP2L9U | fdasrs |
| PD009517 | probes_and_drugs |
| 13679 | brenda |
| F9R - Ideal conformer | pdbe |
| HMDB0015468 | hmdb |
| Molport-001-742-606 | molport |
| 881 | drugcentral |
| 46356 | bindingdb |
| The data in this table is sourced from UniChem at EBI. | |