| Properties | Image |
|---|
| MNX_ID | MNXM1131827 |
 |
| reference | lipidmapsM:LMST01010441 |
| formula | C43H72O7 |
| global charge | 0 |
| mol weight | 701.042 |
| InChIKey | DQQCDNDQVOUFJJ-FCLBCQKGSA-N |
| InChI | InChI=1S/C43H72O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(47)50-38(23-24-40(3,4)48)30(2)31-22-26-43(49)33-27-35(44)34-28-36(45)37(46)29-41(34,5)32(33)21-25-42(31,43)6/h12-13,27,30-32,34,36-38,45-46,48-49H,7-11,14-26,28-29H2,1-6H3/b13-12-/t30-,31+,32-,34-,36+,37-,38+,41+,42+,43+/m0/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C43H72O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(47)50-38(23-24-40(3,4)48)30(2)31-22-26-43(49)33-27-35(44)34-28-36(45)37(46)29-41(34,5)32(33)21-25-42(31,43)6/h12-13,27,30-32,34,36-38,45-46,48-49H,7-11,14-26,28-29H2,1-6H3/b13-12-/t30-,31+,32-,34-,36+,37-,38+,41+,42+,43+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:39](=[O:47])[O:50][C@H:38]([CH2:23][CH2:24][C:40]([CH3:3])([CH3:4])[OH:48])[C@@H:30]([CH3:2])[C@H:31]1[CH2:22][CH2:26][C@@:43]2([OH:49])[C:33]3=[CH:27][C:35](=[O:44])[C@@H:34]4[CH2:28][C@@H:36]([OH:45])[C@@H:37]([OH:46])[CH2:29][C@:41]4([CH3:5])[C@H:32]3[CH2:21][CH2:25][C@:42]12[CH3:6] |
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