| Properties | Image |
|---|
| MNX_ID | MNXM44215 |
 |
| reference | lipidmapsM:LMPK12112841 |
| formula | C23H24O12 |
| global charge | 0 |
| mol weight | 492.433 |
| InChIKey | ITLNPAAIMHWILA-ZQWJBEPXSA-N |
| InChI | InChI=1S/C23H24O12/c1-31-10-5-3-9(4-6-10)21-19(29)16(26)14-11(33-21)7-12(22(32-2)17(14)27)34-23-20(30)18(28)15(25)13(8-24)35-23/h3-7,13,15,18,20,23-25,27-30H,8H2,1-2H3/t13-,15-,18+,20-,23-/m1/s1 |
| SMILES | COC1=CC=C(C2=C(O)C(=O)C3=C(C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(OC)=C3O)O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C23H24O12/c1-31-10-5-3-9(4-6-10)21-19(29)16(26)14-11(33-21)7-12(22(32-2)17(14)27)34-23-20(30)18(28)15(25)13(8-24)35-23/h3-7,13,15,18,20,23-25,27-30H,8H2,1-2H3/t13-,15-,18+,20-,23-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:31][C:10]1=[CH:6][CH:4]=[C:9]([C:21]2=[C:19]([OH:29])[C:16](=[O:26])[C:14]3=[C:17]([OH:27])[C:22]([O:32][CH3:2])=[C:12]([O:34][C@H:23]4[C@H:20]([OH:30])[C@@H:18]([OH:28])[C@H:15]([OH:25])[C@@H:13]([CH2:8][OH:24])[O:35]4)[CH:7]=[C:11]3[O:33]2)[CH:3]=[CH:5]1 |
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