| Properties | Image |
|---|
| MNX_ID | MNXM26878 |
 |
| reference | lipidmapsM:LMFA13010013 |
| formula | C36H72O9 |
| global charge | 0 |
| mol weight | 648.963 |
| InChIKey | DHAXBTRAOIDWEZ-MVDWARBJSA-N |
| InChI | InChI=1S/C36H72O9/c1-29(38)27-31(40)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-30(39)25-26-44-36-35(43)34(42)33(41)32(28-37)45-36/h29-43H,2-28H2,1H3/t29-,30-,31+,32-,33-,34+,35-,36+/m1/s1 |
| SMILES | C[C@@H](O)C[C@@H](O)CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H72O9/c1-29(38)27-31(40)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-30(39)25-26-44-36-35(43)34(42)33(41)32(28-37)45-36/h29-43H,2-28H2,1H3/t29-,30-,31+,32-,33-,34+,35-,36+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:29]([CH2:27][C@H:31]([CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][C@H:30]([CH2:25][CH2:26][O:44][C@@H:36]1[C@H:35]([OH:43])[C@@H:34]([OH:42])[C@H:33]([OH:41])[C@@H:32]([CH2:28][OH:37])[O:45]1)[OH:39])[OH:40])[OH:38] |
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