| Properties | Image |
|---|
| MNX_ID | MNXM104445 |
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| reference | lipidmapsM:LMGL02010516 |
| formula | C43H74O5 |
| global charge | 0 |
| mol weight | 671.06 |
| InChIKey | XPMUVLITBUHSRU-BLYDGVSUSA-N |
| InChI | InChI=1S/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20-21,23,27,29,41,44H,3-5,7,9-11,13,15-17,19,22,24-26,28,30-40H2,1-2H3/b8-6-,14-12-,21-20-,23-18-,29-27-/t41-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20-21,23,27,29,41,44H,3-5,7,9-11,13,15-17,19,22,24-26,28,30-40H2,1-2H3/b8-6-,14-12-,21-20-,23-18-,29-27-/t41-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:46])[O:48][C@@H:41]([CH2:39][OH:44])[CH2:40][O:47][C:42]([CH2:37][CH2:35][CH2:33][CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:45] |
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