Molecule
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Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
Cortisone; LC-ESI-QQQ; MS; [M+H]+
(10R,13S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Chemical Information
| InChI | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14?,15?,18?,19-,20-,21-/m0/s1 |
|---|---|
| SMILES | C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)CO |
| InChI Key | MFYSYFVPBJMHGN-BDQMTFAOSA-N |
| Exact Mass | 360.454 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol73965 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 10089738 | surechembl |
| 6708812 | pubchem |
| PD000442 | probes_and_drugs |
| Molport-001-740-059 | molport |
| The data in this table is sourced from UniChem at EBI. | |