| Properties | Image |
|---|
| MNX_ID | MNXM150239 |
 |
| reference | lipidmapsM:LMST01040214 |
| formula | C51H88O7 |
| global charge | 0 |
| mol weight | 813.258 |
| InChIKey | OMHUFUKAYBXQSD-LODQGPTASA-N |
| InChI | InChI=1S/C51H88O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h16-17,25,35-37,39-44,46-49,53-55H,8-15,18-24,26-34H2,1-7H3/b17-16-/t36-,37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]5(C)CC[C@@H]43)C2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C51H88O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h16-17,25,35-37,39-44,46-49,53-55H,8-15,18-24,26-34H2,1-7H3/b17-16-/t36-,37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:45](=[O:52])[O:56][CH2:34][C@@H:44]1[C@@H:46]([OH:53])[C@H:47]([OH:54])[C@@H:48]([OH:55])[C@H:49]([O:57][C@H:39]2[CH2:29][CH2:31][C@@:50]3([CH3:6])[C:38](=[CH:25][CH2:26][C@H:40]4[C@@H:42]5[CH2:28][CH2:27][C@H:41]([C@H:36]([CH3:5])[CH2:23][CH2:24][C@@H:37]([CH2:9][CH3:2])[CH:35]([CH3:3])[CH3:4])[C@@:51]5([CH3:7])[CH2:32][CH2:30][C@@H:43]43)[CH2:33]2)[O:58]1 |
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