| Properties | Image |
|---|
| MNX_ID | MNXM157167 |
 |
| reference | keggD:D02238 |
| formula | C23H31NO7 |
| global charge | 0 |
| mol weight | 433.501 |
| InChIKey | FWMLYVACGDQRFU-ZTMWJVNESA-N |
| InChI | InChI=1S/C19H25NO.C4H6O6/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19;5-1(3(7)8)2(6)4(9)10/h2,6-7,13,16,18,21H,1,3-5,8-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t16-,18+,19+;1-,2-/m01/s1 |
| SMILES | C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC1=CC=C(O)C=C13.O=C(O)[C@H](O)[C@@H](O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H25NO.C4H6O6/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19;5-1(3(7)8)2(6)4(9)10/h2,6-7,13,16,18,21H,1,3-5,8-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t16-,18+,19+;1-,2-/m01/s1 |
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| SMILES (mnx) | [C@@H:22]([C@H:23]([C:25](=[O:30])[OH:31])[OH:27])([C:24](=[O:28])[OH:29])[OH:26].[CH2:1]=[CH:2][CH2:10][N:20]1[CH2:11][CH2:9][C@:19]23[CH2:8][CH2:4][CH2:3][CH2:5][C@H:16]2[C@H:18]1[CH2:12][C:14]1=[CH:6][CH:7]=[C:15]([OH:21])[CH:13]=[C:17]13 |
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