Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c2c1C(=O)C3=C(Oc1cc(O)c2O)CC(OC3OC)C |
SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H]1O[C@@H](C)CC2=C1C(=O)c3c(O2)cc(O)c(O)c3C(O)=O |
SMILES | CACTVS | 3.341 | CO[CH]1O[CH](C)CC2=C1C(=O)c3c(O2)cc(O)c(O)c3C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1CC2=C(C(O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2 |
InChI | InChI | 1.03 | InChI=1S/C15H14O8/c1-5-3-7-10(15(21-2)22-5)13(18)9-8(23-7)4-6(16)12(17)11(9)14(19)20/h4-5,15-17H,3H2,1-2H3,(H,19,20)/t5-,15+/m0/s1 |
InChIKey | InChI | 1.03 | RSFJMLCZHPZXCW-AANKLQPISA-N |