| Properties | Image |
|---|
| MNX_ID | MNXM1190574 |
 |
| reference | envipathM:...35eb28b43d05 |
| formula | C11H17NO6PS |
| global charge | -1 |
| mol weight | 322.299 |
| InChIKey | RTKSRLRDCPZDDU-UHFFFAOYSA-M |
| InChI | InChI=1S/C11H18NO6PS/c1-5(2)12-19(16,17)18-10-7(13)6(3)11(20-4)9(15)8(10)14/h5,13-15H,1-4H3,(H2,12,16,17)/p-1 |
| SMILES | CSC1=C(C)C(O)=C(OP(=O)([O-])NC(C)C)C(O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C11H18NO6PS/c1-5(2)12-19(16,17)18-10-7(13)6(3)11(20-4)9(15)8(10)14/h5,13-15H,1-4H3,(H2,12,16,17) |
 |
| SMILES (mnx) | [CH3:1][CH:5]([CH3:2])[NH:12][P:19]([OH:16])(=[O:17])[O:18][C:10]1=[C:8]([OH:14])[C:9]([OH:15])=[C:11]([S:20][CH3:4])[C:6]([CH3:3])=[C:7]1[OH:13] |
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