| Properties | Image |
|---|
| MNX_ID | MNXM1132128 |
 |
| reference | lipidmapsM:LMST05050050 |
| formula | C41H68O14 |
| global charge | 0 |
| mol weight | 784.981 |
| InChIKey | NYUXWEPIGQEPET-UBKPSMHSSA-N |
| InChI | InChI=1S/C41H68O14/c1-19(2)23(21(4)16-52-37-34(49)30(45)26(43)17-53-37)9-8-20(3)29-32(47)33(48)36-40(29,6)13-11-28-39(5)12-10-22(14-24(39)25(42)15-41(28,36)50)55-38-35(51-7)31(46)27(44)18-54-38/h8-9,14,19-23,25-38,42-50H,10-13,15-18H2,1-7H3/b9-8+/t20-,21-,22+,23+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34-,35-,36-,37-,38+,39+,40-,41+/m1/s1 |
| SMILES | CO[C@H]1[C@H](O[C@@H]2C=C3[C@H](O)C[C@@]4(O)[C@@H]5[C@@H](O)[C@H](O)[C@H]([C@H](C)/C=C/[C@@H](C(C)C)[C@H](C)CO[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)OC[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C41H68O14/c1-19(2)23(21(4)16-52-37-34(49)30(45)26(43)17-53-37)9-8-20(3)29-32(47)33(48)36-40(29,6)13-11-28-39(5)12-10-22(14-24(39)25(42)15-41(28,36)50)55-38-35(51-7)31(46)27(44)18-54-38/h8-9,14,19-23,25-38,42-50H,10-13,15-18H2,1-7H3/b9-8+/t20-,21-,22+,23+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34-,35-,36-,37-,38+,39+,40-,41+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[C@H:23](/[CH:9]=[CH:8]/[C@@H:20]([CH3:3])[C@H:29]1[C@@H:32]([OH:47])[C@H:33]([OH:48])[C@@H:36]2[C@:40]1([CH3:6])[CH2:13][CH2:11][C@@H:28]1[C@@:39]3([CH3:5])[CH2:12][CH2:10][C@H:22]([O:55][C@H:38]4[C@H:35]([O:51][CH3:7])[C@@H:31]([OH:46])[C@H:27]([OH:44])[CH2:18][O:54]4)[CH:14]=[C:24]3[C@H:25]([OH:42])[CH2:15][C@:41]12[OH:50])[C@H:21]([CH3:4])[CH2:16][O:52][C@H:37]1[C@H:34]([OH:49])[C@@H:30]([OH:45])[C@H:26]([OH:43])[CH2:17][O:53]1 |
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