| Properties | Image |
|---|
| MNX_ID | MNXM29321 |
 |
| reference | lipidmapsM:LMPK12113303 |
| formula | C31H38O18 |
| global charge | 0 |
| mol weight | 698.627 |
| InChIKey | WFXYFLUQJDVKGN-PLZNWCDLSA-N |
| InChI | InChI=1S/C31H38O18/c1-41-24-15-18(36)27(42-2)23(48-25(15)29(44-4)21(39)28(24)43-3)11-5-7-12(8-6-11)45-31-22(40)26(17(35)14(10-33)47-31)49-30-20(38)19(37)16(34)13(9-32)46-30/h5-8,13-14,16-17,19-20,22,26,30-35,37-40H,9-10H2,1-4H3/t13-,14-,16-,17+,19+,20-,22-,26+,30+,31-/m1/s1 |
| SMILES | COC1=C(O)C(OC)=C2OC(C3=CC=C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)C=C3)=C(OC)C(=O)C2=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C31H38O18/c1-41-24-15-18(36)27(42-2)23(48-25(15)29(44-4)21(39)28(24)43-3)11-5-7-12(8-6-11)45-31-22(40)26(17(35)14(10-33)47-31)49-30-20(38)19(37)16(34)13(9-32)46-30/h5-8,13-14,16-17,19-20,22,26,30-35,37-40H,9-10H2,1-4H3/t13-,14-,16-,17+,19+,20-,22-,26+,30+,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:41][C:24]1=[C:15]2[C:18](=[O:36])[C:27]([O:42][CH3:2])=[C:23]([C:11]3=[CH:6][CH:8]=[C:12]([O:45][C@H:31]4[C@H:22]([OH:40])[C@@H:26]([O:49][C@H:30]5[C@H:20]([OH:38])[C@@H:19]([OH:37])[C@H:16]([OH:34])[C@@H:13]([CH2:9][OH:32])[O:46]5)[C@@H:17]([OH:35])[C@@H:14]([CH2:10][OH:33])[O:47]4)[CH:7]=[CH:5]3)[O:48][C:25]2=[C:29]([O:44][CH3:4])[C:21]([OH:39])=[C:28]1[O:43][CH3:3] |
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