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Structure
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| Relationships |
Total Number of functionally related protein(s) :
227
Total Number of Articles : 169
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| PubChem |
5944
|
| Molecular Formula |
C10H12O4 |
| SMILES |
C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3 |
| InChI |
InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10- |
| synonyms |
- cantharidin
- 56-25-7
- Cantharone
- CANTHARIDINE
- Kantharidin
- Cantaridina
- Cantharidinum
- Kantharidin [German]
- Caswell No. 157
- (3ar,4s,7r,7as)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione
- CAN [Alkaloid]
- Cantharidin [USAN]
- CCRIS 635
- HSDB 2181
- AI3-04021
- UNII-IGL471WQ8P
- EINECS 200-263-3
- NSC 61805
- NSC-61805
- EPA Pesticide Chemical Code 013101
- BRN 0085302
- YCANTH
- CHEBI:64213
- CANTHARIDIN [MI]
- 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-
- CANTHARIDIN [INN]
- CANTHARIDIN [IARC]
- CANTHARIDIN [VANDF]
- CANTHARIDINE [HSDB]
- CANTHARIDIN [MART.]
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| Properties |
| Property |
Value |
| MW |
196.20 g/mol |
| HBD |
0 |
| HBA |
4 |
| Rotatable Bond Count |
0 |
| Exact Mass |
196.07355886 g/mol |
| Monoisotopic Mass |
196.07355886 g/mol |
| Heavy Atom Count |
14 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
4 |
| Covalent Unit Count |
1 |
| Complexity |
318 |
| xlogp |
0.6 |
| Topological Polar Surface Area |
52.6 |
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