| Properties | Image |
|---|
| MNX_ID | MNXM47795 |
 |
| reference | keggD:D03602 |
| formula | C24H27NO5S |
| global charge | 0 |
| mol weight | 441.549 |
| InChIKey | NJWBUDCAWGTQAS-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H23NO2.CH4O3S/c1-23(14-25,15-26)24-13-17-12-22-18-7-3-2-6-16(18)10-11-21(22)20-9-5-4-8-19(17)20;1-5(2,3)4/h2-12,24-26H,13-15H2,1H3;1H3,(H,2,3,4) |
| SMILES | CC(CO)(CO)NCC1=CC2=C(C=CC3=C2C=CC=C3)C2=CC=CC=C12.CS(=O)(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H23NO2.CH4O3S/c1-23(14-25,15-26)24-13-17-12-22-18-7-3-2-6-16(18)10-11-21(22)20-9-5-4-8-19(17)20;1-5(2,3)4/h2-12,24-26H,13-15H2,1H3;1H3,(H,2,3,4) |
 |
| SMILES (mnx) | [CH3:1][C:23]([CH2:14][OH:25])([CH2:15][OH:26])[NH:24][CH2:13][C:17]1=[C:19]2[CH:8]=[CH:4][CH:5]=[CH:9][C:20]2=[C:21]2[CH:11]=[CH:10][C:16]3=[CH:6][CH:2]=[CH:3][CH:7]=[C:18]3[C:22]2=[CH:12]1.[CH3:27][S:31]([OH:28])(=[O:29])=[O:30] |
|