| Properties | Image |
|---|
| MNX_ID | MNXM150685 |
 |
| reference | lipidmapsM:LMST01020081 |
| formula | C49H80O2 |
| global charge | 0 |
| mol weight | 701.177 |
| InChIKey | ZVTHFLLSKPVEBQ-ODZMKCHJSA-N |
| InChI | InChI=1S/C49H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-47(50)51-42-33-35-48(6)41(37-42)29-30-43-45-32-31-44(49(45,7)36-34-46(43)48)39(5)27-28-40(9-2)38(3)4/h10-11,13-14,16-17,27-29,38-40,42-46H,8-9,12,15,18-26,30-37H2,1-7H3/b11-10-,14-13-,17-16-,28-27+/t39-,40-,42+,43+,44-,45+,46+,48+,49-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)[C@@]4(C)CC[C@@H]32)C1 |
MNX internals
| InChI (mnx) | InChI=1/C49H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-47(50)51-42-33-35-48(6)41(37-42)29-30-43-45-32-31-44(49(45,7)36-34-46(43)48)39(5)27-28-40(9-2)38(3)4/h10-11,13-14,16-17,27-29,38-40,42-46H,8-9,12,15,18-26,30-37H2,1-7H3/b11-10-,14-13-,17-16-,28-27+/t39-,40-,42+,43+,44-,45+,46+,48+,49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:47](=[O:50])[O:51][C@H:42]1[CH2:33][CH2:35][C@@:48]2([CH3:6])[C:41](=[CH:29][CH2:30][C@H:43]3[C@@H:45]4[CH2:32][CH2:31][C@H:44]([C@H:39]([CH3:5])/[CH:27]=[CH:28]/[C@@H:40]([CH2:9][CH3:2])[CH:38]([CH3:3])[CH3:4])[C@@:49]4([CH3:7])[CH2:36][CH2:34][C@@H:46]32)[CH2:37]1 |
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