| Properties | Image |
|---|
| MNX_ID | MNXM1131048 |
 |
| reference | lipidmapsM:LMPK11000021 |
| formula | C32H39NO8 |
| global charge | 0 |
| mol weight | 565.663 |
| InChIKey | SYQABGFBCTXKFW-HFPRWYATSA-N |
| InChI | InChI=1S/C32H39NO8/c1-16-11-10-14-22-25(39-19(4)34)18(3)17(2)24-23(15-21-12-8-7-9-13-21)33-30(37)32(22,24)29(40-20(5)35)26-28(41-26)31(6,38)27(16)36/h7-10,12-14,16,22-26,28-29,38H,11,15H2,1-6H3,(H,33,37)/t16-,22-,23-,24-,25+,26-,28-,29+,31-,32-/m0/s1 |
| SMILES | CC(=O)O[C@@H]1C(C)=C(C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]23[C@H](OC(C)=O)[C@H]2O[C@@H]2[C@@](C)(O)C(=O)[C@@H](C)CC=C[C@@H]13 |
MNX internals
| InChI (mnx) | InChI=1/C32H39NO8/c1-16-11-10-14-22-25(39-19(4)34)18(3)17(2)24-23(15-21-12-8-7-9-13-21)33-30(37)32(22,24)29(40-20(5)35)26-28(41-26)31(6,38)27(16)36/h7-10,12-14,16,22-26,28-29,38H,11,15H2,1-6H3,(H,33,37)/b14-10?/t16-,22-,23-,24-,25+,26-,28-,29+,31-,32-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]1[CH2:11][CH:10]=[CH:14][C@H:22]2[C@H:25]([O:39][C:19]([CH3:4])=[O:34])[C:18]([CH3:3])=[C:17]([CH3:2])[C@H:24]3[C@H:23]([CH2:15][C:21]4=[CH:12][CH:8]=[CH:7][CH:9]=[CH:13]4)[N:33]=[C:30]([OH:37])[C@@:32]23[C@H:29]([O:40][C:20]([CH3:5])=[O:35])[C@@H:26]2[C@@H:28]([C@@:31]([CH3:6])([OH:38])[C:27]1=[O:36])[O:41]2 |
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