Molecule
![Molecular Image]()
Diacetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
Diacetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
Diacetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
Diacetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
Diacetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
(11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Chemical Information
| InChI | InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C |
| InChI Key | AUGQEEXBDZWUJY-UHFFFAOYSA-N |
| Exact Mass | 366.168 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol87997 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEBI:181805 | chebi |
| CHEMBL2002916 | chembl |
| 289702 | surechembl |
| 422111 | pubchem |
| PD072924 | probes_and_drugs |
| HMDB0035104 | hmdb |
| FDB013733 | foodb |
| The data in this table is sourced from UniChem at EBI. | |