| Properties | Image |
|---|
| MNX_ID | MNXM156862 |
 |
| reference | keggD:D10200 |
| formula | C26H30FNO7S |
| global charge | 0 |
| mol weight | 519.591 |
| InChIKey | TUVGWWULBZIUBS-FVYIYGEMSA-N |
| InChI | InChI=1S/C21H21FO5S.C5H9NO2/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14;7-5(8)4-2-1-3-6-4/h1-8,16,18-21,23-26H,9-10H2;4,6H,1-3H2,(H,7,8)/t16-,18-,19+,20-,21+;4-/m10/s1 |
| SMILES | O=C(O)[C@@H]1CCCN1.OC[C@H]1O[C@@H](C2=CC(CC3=CC4=C(C=CC=C4)S3)=C(F)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H21FO5S.C5H9NO2/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14;7-5(8)4-2-1-3-6-4/h1-8,16,18-21,23-26H,9-10H2;4,6H,1-3H2,(H,7,8)/t16-,18-,19+,20-,21+;4-/m10/s1 |
 |
| SMILES (mnx) | [CH2:29]1[CH2:30][C@@H:32]([C:33](=[O:35])[OH:36])[NH:34][CH2:31]1.[CH:1]1=[CH:2][CH:4]=[C:17]2[C:11](=[CH:3]1)[CH:8]=[C:14]([CH2:9][C:13]1=[C:15]([F:22])[CH:6]=[CH:5][C:12]([C@H:21]3[C@H:20]([OH:26])[C@@H:19]([OH:25])[C@H:18]([OH:24])[C@@H:16]([CH2:10][OH:23])[O:27]3)=[CH:7]1)[S:28]2 |
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