| Properties | Image |
|---|
| MNX_ID | MNXM58826 |
 |
| reference | lipidmapsM:LMPK12111755 |
| formula | C32H38O20 |
| global charge | 0 |
| mol weight | 742.636 |
| InChIKey | ZLIBDUVXNWMLCR-SHXZUOBJSA-N |
| InChI | InChI=1S/C32H38O20/c33-7-16-20(39)23(42)26(45)31(49-16)47-12-5-13(36)18-15(6-12)48-27(10-1-3-11(35)4-2-10)28(22(18)41)51-32-29(24(43)21(40)17(8-34)50-32)52-30-25(44)19(38)14(37)9-46-30/h1-6,14,16-17,19-21,23-26,29-40,42-45H,7-9H2/t14-,16-,17-,19+,20-,21-,23+,24+,25-,26-,29-,30+,31-,32+/m1/s1 |
| SMILES | O=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C32H38O20/c33-7-16-20(39)23(42)26(45)31(49-16)47-12-5-13(36)18-15(6-12)48-27(10-1-3-11(35)4-2-10)28(22(18)41)51-32-29(24(43)21(40)17(8-34)50-32)52-30-25(44)19(38)14(37)9-46-30/h1-6,14,16-17,19-21,23-26,29-40,42-45H,7-9H2/t14-,16-,17-,19+,20-,21-,23+,24+,25-,26-,29-,30+,31-,32+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:35])=[CH:4][CH:2]=[C:10]1[C:27]1=[C:28]([O:51][C@H:32]2[C@H:29]([O:52][C@H:30]3[C@H:25]([OH:44])[C@@H:19]([OH:38])[C@H:14]([OH:37])[CH2:9][O:46]3)[C@@H:24]([OH:43])[C@H:21]([OH:40])[C@@H:17]([CH2:8][OH:34])[O:50]2)[C:22](=[O:41])[C:18]2=[C:13]([OH:36])[CH:5]=[C:12]([O:47][C@H:31]3[C@H:26]([OH:45])[C@@H:23]([OH:42])[C@H:20]([OH:39])[C@@H:16]([CH2:7][OH:33])[O:49]3)[CH:6]=[C:15]2[O:48]1 |
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