| Properties | Image |
|---|
| MNX_ID | MNXM28960 |
 |
| reference | lipidmapsM:LMPK12111407 |
| formula | C31H38O17 |
| global charge | 0 |
| mol weight | 682.628 |
| InChIKey | UQHLTUQPRGENNU-YXEXPDDHSA-N |
| InChI | InChI=1S/C31H38O17/c1-10-19(34)22(37)25(40)31(45-10)48-27-17-12(33)8-13(11-6-14(41-2)26(43-4)15(7-11)42-3)46-29(17)30(44-5)21(36)18(27)28-24(39)23(38)20(35)16(9-32)47-28/h6-8,10,16,19-20,22-25,28,31-32,34-40H,9H2,1-5H3/t10-,16+,19-,20+,22+,23-,24+,25+,28-,31-/m0/s1 |
| SMILES | COC1=CC(C2=CC(=O)C3=C(O2)C(OC)=C(O)C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C3O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)=CC(OC)=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C31H38O17/c1-10-19(34)22(37)25(40)31(45-10)48-27-17-12(33)8-13(11-6-14(41-2)26(43-4)15(7-11)42-3)46-29(17)30(44-5)21(36)18(27)28-24(39)23(38)20(35)16(9-32)47-28/h6-8,10,16,19-20,22-25,28,31-32,34-40H,9H2,1-5H3/t10-,16+,19-,20+,22+,23-,24+,25+,28-,31-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:19]([OH:34])[C@@H:22]([OH:37])[C@@H:25]([OH:40])[C@H:31]([O:48][C:27]2=[C:17]3[C:12](=[O:33])[CH:8]=[C:13]([C:11]4=[CH:6][C:14]([O:41][CH3:2])=[C:26]([O:43][CH3:4])[C:15]([O:42][CH3:3])=[CH:7]4)[O:46][C:29]3=[C:30]([O:44][CH3:5])[C:21]([OH:36])=[C:18]2[C@H:28]2[C@H:24]([OH:39])[C@@H:23]([OH:38])[C@H:20]([OH:35])[C@@H:16]([CH2:9][OH:32])[O:47]2)[O:45]1 |
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