| Properties | Image |
|---|
| MNX_ID | MNXM80356 |
 |
| reference | lipidmapsM:LMPK12112117 |
| formula | C32H38O20 |
| global charge | 0 |
| mol weight | 742.636 |
| InChIKey | QJAVZIMXEARWKQ-IVVJKAAASA-N |
| InChI | InChI=1S/C32H38O20/c1-9-19(38)23(42)26(45)31(47-9)48-11-5-14(36)18-16(6-11)49-27(10-2-3-12(34)13(35)4-10)28(22(18)41)51-32-29(24(43)21(40)17(7-33)50-32)52-30-25(44)20(39)15(37)8-46-30/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23+,24-,25+,26+,29+,30-,31-,32-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC2=CC3=C(C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)=C(C4=CC(O)=C(O)C=C4)O3)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H38O20/c1-9-19(38)23(42)26(45)31(47-9)48-11-5-14(36)18-16(6-11)49-27(10-2-3-12(34)13(35)4-10)28(22(18)41)51-32-29(24(43)21(40)17(7-33)50-32)52-30-25(44)20(39)15(37)8-46-30/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23+,24-,25+,26+,29+,30-,31-,32-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]1[C@H:19]([OH:38])[C@@H:23]([OH:42])[C@@H:26]([OH:45])[C@H:31]([O:48][C:11]2=[CH:5][C:14]([OH:36])=[C:18]3[C:16](=[CH:6]2)[O:49][C:27]([C:10]2=[CH:4][C:13]([OH:35])=[C:12]([OH:34])[CH:3]=[CH:2]2)=[C:28]([O:51][C@H:32]2[C@H:29]([O:52][C@H:30]4[C@H:25]([OH:44])[C@@H:20]([OH:39])[C@H:15]([OH:37])[CH2:8][O:46]4)[C@@H:24]([OH:43])[C@H:21]([OH:40])[C@@H:17]([CH2:7][OH:33])[O:50]2)[C:22]3=[O:41])[O:47]1 |
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