| Properties | Image |
|---|
| MNX_ID | MNXM1170759 |
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| reference | envipathM:...7f10a8610712 |
| formula | C25H40NO6 |
| global charge | -1 |
| mol weight | 450.596 |
| InChIKey | LEULWHOYUUHGKJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C25H41NO6/c1-19(21(25(31)32)17-24(29)30)12-10-8-6-4-5-7-9-11-15-26(2,3)18-20-13-14-22(27)23(28)16-20/h13-14,16,19,21H,4-12,15,17-18H2,1-3H3,(H3-,27,28,29,30,31,32)/p-1 |
| SMILES | CC(CCCCCCCCCC[N+](C)(C)CC1=CC=C(O)C(O)=C1)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C25H41NO6/c1-19(21(25(31)32)17-24(29)30)12-10-8-6-4-5-7-9-11-15-26(2,3)18-20-13-14-22(27)23(28)16-20/h13-14,16,19,21H,4-12,15,17-18H2,1-3H3,(H3-,27,28,29,30,31,32)/t19?,21? |
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| SMILES (mnx) | [CH3:1][CH:19]([CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:5][CH2:7][CH2:9][CH2:11][CH2:15][N+:26]([CH3:2])([CH3:3])[CH2:18][C:20]1=[CH:16][C:23]([OH:28])=[C:22]([OH:27])[CH:14]=[CH:13]1)[CH:21]([CH2:17][C:24](=[O:29])[OH:30])[C:25](=[O:31])[O-:32] |
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