| Properties | Image |
|---|
| MNX_ID | MNXM28393 |
 |
| reference | lipidmapsM:LMPK12010320 |
| formula | C36H43O24 |
| global charge | 1 |
| mol weight | 859.716 |
| InChIKey | WFTCKFPYAPNNAQ-KXGKYMRZSA-O |
| InChI | InChI=1S/C36H42O24/c1-10-23(44)27(48)30(51)34(54-10)60-33-29(50)25(46)19(8-37)58-36(33)57-18-6-13-14(38)4-12(5-17(13)56-32(18)11-2-15(39)24(45)16(40)3-11)55-35-31(52)28(49)26(47)20(59-35)9-53-22(43)7-21(41)42/h2-6,10,19-20,23,25-31,33-37,44,46-52H,7-9H2,1H3,(H4-,38,39,40,41,42,45)/p+1/t10-,19+,20+,23-,25+,26+,27+,28-,29-,30+,31+,33+,34-,35+,36+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC3=C(C4=CC(O)=C(O)C(O)=C4)[O+]=C4C=C(O[C@@H]5O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C(O)C4=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H42O24/c1-10-23(44)27(48)30(51)34(54-10)60-33-29(50)25(46)19(8-37)58-36(33)57-18-6-13-14(38)4-12(5-17(13)56-32(18)11-2-15(39)24(45)16(40)3-11)55-35-31(52)28(49)26(47)20(59-35)9-53-22(43)7-21(41)42/h2-6,10,19-20,23,25-31,33-37,44,46-52H,7-9H2,1H3,(H4-,38,39,40,41,42,45)/t10-,19+,20+,23-,25+,26+,27+,28-,29-,30+,31+,33+,34-,35+,36+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:23]([OH:44])[C@@H:27]([OH:48])[C@@H:30]([OH:51])[C@H:34]([O:60][C@@H:33]2[C@@H:29]([OH:50])[C@H:25]([OH:46])[C@@H:19]([CH2:8][OH:37])[O:58][C@H:36]2[O:57][C:18]2=[C:32]([C:11]3=[CH:2][C:15]([OH:39])=[C:24]([O-:45])[C:16]([OH:40])=[CH:3]3)[O:56][C:17]3=[CH:5][C:12](=[O+:55][C@H:35]4[C@H:31]([OH:52])[C@@H:28]([OH:49])[C@H:26]([OH:47])[C@@H:20]([CH2:9][O:53][C:22]([CH2:7][C:21](=[O:41])[OH:42])=[O:43])[O:59]4)[CH:4]=[C:14]([OH:38])[C:13]3=[CH:6]2)[O:54]1 |
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