| Properties | Image |
|---|
| MNX_ID | MNXM1130890 |
 |
| reference | lipidmapsM:LMGL05010043 |
| formula | C43H66O12 |
| global charge | 0 |
| mol weight | 774.989 |
| InChIKey | XIXFOODLGVIYRU-BKHWLYAPSA-N |
| InChI | InChI=1S/C43H66O12/c1-3-5-7-23-29-50-31-25-19-15-11-9-10-13-17-21-27-38(45)52-34-36(35-53-43-42(49)41(48)40(47)37(33-44)55-43)54-39(46)28-22-18-14-12-16-20-26-32-51-30-24-8-6-4-2/h5-8,15-16,19-20,23-26,29-32,36-37,40-44,47-49H,3-4,9-14,17-18,21-22,27-28,33-35H2,1-2H3/b7-5-,8-6-,19-15-,20-16-,29-23-,30-24-,31-25+,32-26+/t36-,37-,40+,41+,42-,43-/m1/s1 |
| SMILES | CC/C=C\C=C/O/C=C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC/C=C\C=C\O/C=C\C=C/CC |
MNX internals
| InChI (mnx) | InChI=1/C43H66O12/c1-3-5-7-23-29-50-31-25-19-15-11-9-10-13-17-21-27-38(45)52-34-36(35-53-43-42(49)41(48)40(47)37(33-44)55-43)54-39(46)28-22-18-14-12-16-20-26-32-51-30-24-8-6-4-2/h5-8,15-16,19-20,23-26,29-32,36-37,40-44,47-49H,3-4,9-14,17-18,21-22,27-28,33-35H2,1-2H3/b7-5-,8-6-,19-15-,20-16-,29-23-,30-24-,31-25+,32-26+/t36-,37-,40+,41+,42-,43-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH:23]=[CH:29]/[O:50]/[CH:31]=[CH:25]/[CH:19]=[CH:15]\[CH2:11][CH2:9][CH2:10][CH2:13][CH2:17][CH2:21][CH2:27][C:38](=[O:45])[O:52][CH2:34][C@H:36]([CH2:35][O:53][C@H:43]1[C@H:42]([OH:49])[C@@H:41]([OH:48])[C@@H:40]([OH:47])[C@@H:37]([CH2:33][OH:44])[O:55]1)[O:54][C:39]([CH2:28][CH2:22][CH2:18][CH2:14][CH2:12]/[CH:16]=[CH:20]\[CH:26]=[CH:32]\[O:51]/[CH:30]=[CH:24]\[CH:8]=[CH:6]/[CH2:4][CH3:2])=[O:46] |
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