| Properties | Image |
|---|
| MNX_ID | MNXM22851 |
 |
| reference | lipidmapsM:LMPK12010130 |
| formula | C39H51O25 |
| global charge | 1 |
| mol weight | 919.812 |
| InChIKey | YQJZOOPKXKKTGM-HJGXDDCVSA-O |
| InChI | InChI=1S/C39H50O25/c1-11-23(44)27(48)31(52)36(57-11)56-10-22-26(47)30(51)34(55)39(64-22)61-19-7-14-16(5-13(42)6-17(14)59-37-32(53)28(49)24(45)20(8-40)62-37)58-35(19)12-2-3-15(43)18(4-12)60-38-33(54)29(50)25(46)21(9-41)63-38/h2-7,11,20-34,36-41,44-55H,8-10H2,1H3,(H-,42,43)/p+1/t11-,20+,21+,22+,23-,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34+,36+,37+,38+,39+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C(O)C=C4)[O+]=C4C=C(O)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C39H50O25/c1-11-23(44)27(48)31(52)36(57-11)56-10-22-26(47)30(51)34(55)39(64-22)61-19-7-14-16(5-13(42)6-17(14)59-37-32(53)28(49)24(45)20(8-40)62-37)58-35(19)12-2-3-15(43)18(4-12)60-38-33(54)29(50)25(46)21(9-41)63-38/h2-7,11,20-34,36-41,44-55H,8-10H2,1H3,(H-,42,43)/t11-,20+,21+,22+,23-,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34+,36+,37+,38+,39+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]1[C@H:23]([OH:44])[C@@H:27]([OH:48])[C@@H:31]([OH:52])[C@H:36]([O:56][CH2:10][C@@H:22]2[C@@H:26]([OH:47])[C@H:30]([OH:51])[C@@H:34]([OH:55])[C@H:39]([O:61][C:19]3=[CH:7][C:14]4=[C:16]([CH:5]=[C:13]([OH:42])[CH:6]=[C:17]4[O:59][C@H:37]4[C@H:32]([OH:53])[C@@H:28]([OH:49])[C@H:24]([OH:45])[C@@H:20]([CH2:8][OH:40])[O:62]4)[O+:58]=[C:35]3[C:12]3=[CH:4][C:18]([O:60][C@H:38]4[C@H:33]([OH:54])[C@@H:29]([OH:50])[C@H:25]([OH:46])[C@@H:21]([CH2:9][OH:41])[O:63]4)=[C:15]([O-:43])[CH:3]=[CH:2]3)[O:64]2)[O:57]1 |
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