Molecule
![Molecular Image]()
Verticinone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
Verticinone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
Verticinone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
Verticinone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
Verticinone; LC-ESI-QQQ; MS; [M+H]+
(10S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one;hydrate
Chemical Information
| InChI | InChI=1S/C27H43NO3.H2O/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2;/h15-23,25,29,31H,4-14H2,1-3H3;1H2/t15?,16?,17?,18?,19?,20?,21?,22?,23?,25?,26?,27-;/m0./s1 |
|---|---|
| SMILES | CC1CCC2N(C1)CC1C3CC4C(CC(=O)C5CC(O)CCC54C)C3CCC1[C@]2(C)O.O |
| InChI Key | RBVQXLKYWVYWQU-RQQIEUDCSA-N |
| Exact Mass | 447.664 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol25722 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 139292042 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |