| Properties | Image |
|---|
| MNX_ID | MNXM26717 |
 |
| reference | lipidmapsM:LMGL05010002 |
| formula | C47H76O11 |
| global charge | 0 |
| mol weight | 817.114 |
| InChIKey | KVVKZHYWJIKDEI-VXVSDXMGSA-N |
| InChI | InChI=1S/C47H76O11/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)57-39(38-56-47-44(52)42(50)43(51)45(58-47)46(53)54)37-55-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,28,30,39,42-45,47,50-52H,3-4,6,8-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42+,43+,44-,45+,47+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C47H76O11/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)57-39(38-56-47-44(52)42(50)43(51)45(58-47)46(53)54)37-55-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,28,30,39,42-45,47,50-52H,3-4,6,8-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42+,43+,44-,45+,47+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][C:41](=[O:49])[O:57][C@H:39]([CH2:37][O:55][C:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23]/[CH:21]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48])[CH2:38][O:56][C@@H:47]1[C@H:44]([OH:52])[C@@H:42]([OH:50])[C@H:43]([OH:51])[C@@H:45]([C:46](=[O:53])[OH:54])[O:58]1 |
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