| Properties | Image |
|---|
| MNX_ID | MNXM150293 |
 |
| reference | lipidmapsM:LMST01010376 |
| formula | C51H84O7 |
| global charge | 0 |
| mol weight | 809.226 |
| InChIKey | QCWFLJOTKUMHFD-HJEIXURLSA-N |
| InChI | InChI=1S/C51H84O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-45(52)56-35-44-46(53)47(54)48(55)49(58-44)57-39-30-32-50(5)38(34-39)26-27-40-42-29-28-41(37(4)24-22-23-36(2)3)51(42,6)33-31-43(40)50/h8-9,11-12,14-15,26,36-37,39-44,46-49,53-55H,7,10,13,16-25,27-35H2,1-6H3/b9-8-,12-11-,15-14-/t37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=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)CCCC(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/C51H84O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-45(52)56-35-44-46(53)47(54)48(55)49(58-44)57-39-30-32-50(5)38(34-39)26-27-40-42-29-28-41(37(4)24-22-23-36(2)3)51(42,6)33-31-43(40)50/h8-9,11-12,14-15,26,36-37,39-44,46-49,53-55H,7,10,13,16-25,27-35H2,1-6H3/b9-8-,12-11-,15-14-/t37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:25][C:45](=[O:52])[O:56][CH2:35][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[CH2:30][CH2:32][C@@:50]3([CH3:5])[C:38](=[CH:26][CH2:27][C@H:40]4[C@@H:42]5[CH2:29][CH2:28][C@H:41]([C@H:37]([CH3:4])[CH2:24][CH2:22][CH2:23][CH:36]([CH3:2])[CH3:3])[C@@:51]5([CH3:6])[CH2:33][CH2:31][C@@H:43]43)[CH2:34]2)[O:58]1 |
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