Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)=[C@H]Cc1c(O)cc2Oc3c(C(c2c1O)=O)c(c(c(c3)O)O)C[C@H]=C(C)C |
InChI | InChI | 1.03 | InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3 |
InChIKey | InChI | 1.03 | VEZXFTKZUMARDU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCc1c(O)cc2Oc3cc(O)c(O)c(CC=C(C)C)c3C(=O)c2c1O |
SMILES | CACTVS | 3.385 | CC(C)=CCc1c(O)cc2Oc3cc(O)c(O)c(CC=C(C)C)c3C(=O)c2c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C |