| Properties | Image |
|---|
| MNX_ID | MNXM113622 |
 |
| reference | chebi:70287 |
| formula | C22H29NO6 |
| global charge | 0 |
| mol weight | 403.475 |
| InChIKey | KQURUXJOTYKSMO-ZSBVLOQZSA-N |
| InChI | InChI=1S/C22H29NO6/c1-2-15(14-24)7-5-3-4-6-8-18(26)19-20(27)17(13-23-21(19)28)22(29)11-9-16(25)10-12-22/h3-8,13,15-16,24-25,29H,2,9-12,14H2,1H3,(H2,23,27,28)/b4-3+,7-5+,8-6+/t15?,16-,22+ |
| SMILES | CCC(/C=C/C=C/C=C/C(=O)C1=C(O)C([C@]2(O)CC[C@@H](O)CC2)=CNC1=O)CO |
MNX internals
| InChI (mnx) | InChI=1/C22H29NO6/c1-2-15(14-24)7-5-3-4-6-8-18(26)19-20(27)17(13-23-21(19)28)22(29)11-9-16(25)10-12-22/h3-8,13,15-16,24-25,29H,2,9-12,14H2,1H3,(H2,23,27,28)/b4-3+,7-5+,8-6+/t15?,16-,22+ |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH:15](/[CH:7]=[CH:5]/[CH:3]=[CH:4]/[CH:6]=[CH:8]/[C:18]([C:19]1=[C:20]([OH:27])[C:17]([C@@:22]2([OH:29])[CH2:11][CH2:9][C@H:16]([OH:25])[CH2:10][CH2:12]2)=[CH:13][N:23]=[C:21]1[OH:28])=[O:26])[CH2:14][OH:24] |
|