Molecule
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Strophanthidinic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
Strophanthidinic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
Strophanthidinic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
Strophanthidinic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
Strophanthidinic acid; LC-ESI-QQQ; MS; [M+H]+
(10S,13R)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxylic acid
Chemical Information
| InChI | InChI=1S/C23H32O7/c1-20-6-3-16-17(23(20,29)9-5-15(20)13-10-18(25)30-12-13)4-7-21(28)11-14(24)2-8-22(16,21)19(26)27/h10,14-17,24,28-29H,2-9,11-12H2,1H3,(H,26,27)/t14?,15?,16?,17?,20-,21?,22-,23?/m1/s1 |
|---|---|
| SMILES | C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C(=O)O)C1(O)CCC2C1=CC(=O)OC1 |
| InChI Key | XJIILRFVONGQOG-BNUXJICCSA-N |
| Exact Mass | 420.507 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol10398 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 139292144 | pubchem |
| Molport-046-854-268 | molport |
| The data in this table is sourced from UniChem at EBI. | |