| Properties | Image |
|---|
| MNX_ID | MNXM106077 |
 |
| reference | chebi:69129 |
| formula | C23H35NO7S |
| global charge | 0 |
| mol weight | 469.6 |
| InChIKey | OIRNCQGGSINBCB-QFSORZBASA-N |
| InChI | InChI=1S/C23H35NO7S/c1-14-4-7-16-11-17(12-23(28,31-16)20-13-32-22(27)24-20)30-21(26)10-15(2)5-8-18(25)19(29-3)9-6-14/h6,9-10,14,16-20,25,28H,4-5,7-8,11-13H2,1-3H3,(H,24,27)/b9-6-,15-10-/t14-,16+,17+,18-,19-,20-,23+/m0/s1 |
| SMILES | CO[C@H]1/C=C\[C@@H](C)CC[C@@H]2C[C@H](C[C@](O)([C@@H]3CSC(=O)N3)O2)OC(=O)/C=C(/C)CC[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C23H35NO7S/c1-14-4-7-16-11-17(12-23(28,31-16)20-13-32-22(27)24-20)30-21(26)10-15(2)5-8-18(25)19(29-3)9-6-14/h6,9-10,14,16-20,25,28H,4-5,7-8,11-13H2,1-3H3,(H,24,27)/b9-6-,15-10-/t14-,16+,17+,18-,19-,20-,23+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:14]1[CH2:4][CH2:7][C@@H:16]2[CH2:11][C@H:17]([CH2:12][C@@:23]([C@@H:20]3[CH2:13][S:32][C:22]([OH:27])=[N:24]3)([OH:28])[O:31]2)[O:30][C:21](=[O:26])/[CH:10]=[C:15](/[CH3:2])[CH2:5][CH2:8][C@H:18]([OH:25])[C@@H:19]([O:29][CH3:3])/[CH:9]=[CH:6]\1 |
|