| PDB CCD ID: | A4H |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H22 O4 |
| InChI: | InChI=1S/C17H22O4/c1-11-8-14(18)10-16(2,3)17(11,21)7-6-13(9-15(19)20)12-4-5-12/h6-9,12,21H,4-5,10H2,1-3H3,(H,19,20)/b7-6+,13-9+/t17-/m1/s1 |
| InChIKey: | HKEUSUYMMUPOQP-PZUGTFMISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C2CC2)O)(C)C | | CACTVS 3.385 | CC1=CC(=O)CC(C)(C)[C]1(O)C=CC(=CC(O)=O)C2CC2 | | OpenEye OEToolkits 2.0.6 | CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C2CC2)O)(C)C | | CACTVS 3.385 | CC1=CC(=O)CC(C)(C)[C@@]1(O)\C=C\C(=C/C(O)=O)C2CC2 |
|
| Name: | (2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid |
umich.edu