| Properties | Image |
|---|
| MNX_ID | MNXM1132004 |
 |
| reference | lipidmapsM:LMST01130054 |
| formula | C26H32O8 |
| global charge | 0 |
| mol weight | 472.534 |
| InChIKey | BAHOJFZMHXQESK-JOBIDQOPSA-N |
| InChI | InChI=1S/C26H32O8/c1-22-7-5-16-17(26(22,30)11-18(28)21(22)14-3-4-20(29)31-12-14)6-8-24-10-15-9-19(25(16,24)13-27)33-23(2,32-15)34-24/h3-4,12-13,15-19,21,28,30H,5-11H2,1-2H3/t15-,16-,17+,18-,19+,21-,22+,23+,24-,25-,26-/m0/s1 |
| SMILES | C[C@@]12O[C@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=COC(=O)C=C6)[C@@H](O)C[C@]5(O)[C@@H]4CC[C@@]1(C3)O2 |
MNX internals
| InChI (mnx) | InChI=1/C26H32O8/c1-22-7-5-16-17(26(22,30)11-18(28)21(22)14-3-4-20(29)31-12-14)6-8-24-10-15-9-19(25(16,24)13-27)33-23(2,32-15)34-24/h3-4,12-13,15-19,21,28,30H,5-11H2,1-2H3/t15?,16-,17+,18-,19?,21-,22+,23+,24-,25-,26-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:22]12[CH2:7][CH2:5][C@H:16]3[C@@H:17]([CH2:6][CH2:8][C@:24]45[CH2:10][C@@H:15]6[CH2:9][C@H:19]([C@:25]34[CH:13]=[O:27])[O:33][C@@:23]([CH3:2])([O:32]6)[O:34]5)[C@@:26]1([OH:30])[CH2:11][C@H:18]([OH:28])[C@@H:21]2[C:14]1=[CH:12][O:31][C:20](=[O:29])[CH:4]=[CH:3]1 |
|