| Properties | Image |
|---|
| MNX_ID | MNXM164039 |
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| reference | metacycM:CPD-19470 |
| formula | C16H19N2O10S2 |
| global charge | -1 |
| mol weight | 463.466 |
| InChIKey | WKXRXDCADOCIEN-URUUWQEUSA-M |
| InChI | InChI=1S/C16H20N2O10S2/c19-7-11-13(20)14(21)15(22)16(27-11)29-12(17-28-30(24,25)26)5-8-6-18(23)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-23H,5,7H2,(H,24,25,26)/p-1/b17-12-/t11-,13-,14+,15-,16+/m1/s1 |
| SMILES | O=S(=O)([O-])O/N=C(/CC1=CN(O)C2=C1C=CC=C2)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H20N2O10S2/c19-7-11-13(20)14(21)15(22)16(27-11)29-12(17-28-30(24,25)26)5-8-6-18(23)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-23H,5,7H2,(H,24,25,26)/b17-12-/t11-,13-,14+,15-,16+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[C:8]([CH2:5]/[C:12](=[N:17]/[O:28][S:30]([OH:24])(=[O:25])=[O:26])[S:29][C@H:16]1[C@H:15]([OH:22])[C@@H:14]([OH:21])[C@H:13]([OH:20])[C@@H:11]([CH2:7][OH:19])[O:27]1)=[CH:6][N:18]2[OH:23] |
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