Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC4C(c3c1c(O)c2OCOc2c3)=CC(O)C(O)C4O |
InChI | InChI | 1.03 | InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1 |
InChIKey | InChI | 1.03 | LZAZURSABQIKGB-AEKGRLRDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C=C2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | O[CH]1C=C2[CH](NC(=O)c3c(O)c4OCOc4cc23)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c2c(c(c3c1OCO3)O)C(=O)N[C@@H]4C2=C[C@@H]([C@H]([C@H]4O)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1c2c(c(c3c1OCO3)O)C(=O)NC4C2=CC(C(C4O)O)O |