| Properties | Image |
|---|
| MNX_ID | MNXM157159 |
 |
| reference | chebi:82622 |
| formula | C36H54N2O10 |
| global charge | 0 |
| mol weight | 674.832 |
| InChIKey | OHDYRIXQCGVPSA-HTNAZZBXSA-N |
| InChI | InChI=1S/C36H54N2O10/c1-4-5-6-12-28-18-26-13-9-14-27(45-26)19-29(42-2)20-30-21-31(22-32(46-30)23-35(40)47-28)48-34(39)16-8-7-11-25-24-44-33(38-25)15-10-17-37-36(41)43-3/h8,10,15-16,24,26-32H,4-7,9,11-14,17-23H2,1-3H3,(H,37,41)/b15-10-,16-8-/t26-,27-,28-,29+,30+,31+,32+/m0/s1 |
| SMILES | CCCCC[C@H]1C[C@@H]2CCC[C@@H](C[C@@H](OC)C[C@@H]3C[C@@H](OC(=O)/C=C\CCC4=COC(/C=C\CNC(=O)OC)=N4)C[C@H](CC(=O)O1)O3)O2 |
MNX internals
| InChI (mnx) | InChI=1/C36H54N2O10/c1-4-5-6-12-28-18-26-13-9-14-27(45-26)19-29(42-2)20-30-21-31(22-32(46-30)23-35(40)47-28)48-34(39)16-8-7-11-25-24-44-33(38-25)15-10-17-37-36(41)43-3/h8,10,15-16,24,26-32H,4-7,9,11-14,17-23H2,1-3H3,(H,37,41)/b15-10-,16-8-/t26-,27-,28-,29+,30+,31+,32+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:12][C@H:28]1[CH2:18][C@@H:26]2[CH2:13][CH2:9][CH2:14][C@@H:27]([CH2:19][C@@H:29]([O:42][CH3:2])[CH2:20][C@@H:30]3[CH2:21][C@@H:31]([O:48][C:34](/[CH:16]=[CH:8]\[CH2:7][CH2:11][C:25]4=[CH:24][O:44][C:33](/[CH:15]=[CH:10]\[CH2:17][N:37]=[C:36]([OH:41])[O:43][CH3:3])=[N:38]4)=[O:39])[CH2:22][C@H:32]([CH2:23][C:35](=[O:40])[O:47]1)[O:46]3)[O:45]2 |
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