| Properties | Image |
|---|
| MNX_ID | MNXM49130 |
 |
| reference | lipidmapsM:LMPK12111926 |
| formula | C32H38O20 |
| global charge | 0 |
| mol weight | 742.636 |
| InChIKey | MRJXIMABWBSTFM-UDARYSMHSA-N |
| InChI | InChI=1S/C32H38O20/c33-7-15-19(38)22(41)25(44)31(49-15)51-28-17(9-35)50-32(26(45)23(28)42)52-29-21(40)18-13(37)5-12(46-30-24(43)20(39)16(8-34)48-30)6-14(18)47-27(29)10-1-3-11(36)4-2-10/h1-6,15-17,19-20,22-26,28,30-39,41-45H,7-9H2/t15-,16+,17-,19-,20+,22+,23-,24-,25-,26-,28+,30-,31+,32+/m1/s1 |
| SMILES | O=C1C(O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)=C(C2=CC=C(O)C=C2)OC2=CC(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=CC(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C32H38O20/c33-7-15-19(38)22(41)25(44)31(49-15)51-28-17(9-35)50-32(26(45)23(28)42)52-29-21(40)18-13(37)5-12(46-30-24(43)20(39)16(8-34)48-30)6-14(18)47-27(29)10-1-3-11(36)4-2-10/h1-6,15-17,19-20,22-26,28,30-39,41-45H,7-9H2/t15-,16+,17-,19-,20+,22+,23-,24-,25-,26-,28+,30-,31+,32+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:36])=[CH:4][CH:2]=[C:10]1[C:27]1=[C:29]([O:52][C@H:32]2[C@H:26]([OH:45])[C@@H:23]([OH:42])[C@@H:28]([O:51][C@H:31]3[C@H:25]([OH:44])[C@@H:22]([OH:41])[C@H:19]([OH:38])[C@@H:15]([CH2:7][OH:33])[O:49]3)[C@@H:17]([CH2:9][OH:35])[O:50]2)[C:21](=[O:40])[C:18]2=[C:13]([OH:37])[CH:5]=[C:12]([O:46][C@H:30]3[C@H:24]([OH:43])[C@@H:20]([OH:39])[C@H:16]([CH2:8][OH:34])[O:48]3)[CH:6]=[C:14]2[O:47]1 |
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