| Properties | Image |
|---|
| MNX_ID | MNXM39951 |
 |
| reference | lipidmapsM:LMPK12110457 |
| formula | C24H24O11 |
| global charge | 0 |
| mol weight | 488.445 |
| InChIKey | KSWNCDDLOQQQKB-PFKOEMKTSA-N |
| InChI | InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)33-14-7-15(26)20-16(27)9-17(34-18(20)8-14)12-3-5-13(31-2)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1 |
| SMILES | COC1=CC=C(C2=CC(=O)C3=C(C=C(O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O)O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)33-14-7-15(26)20-16(27)9-17(34-18(20)8-14)12-3-5-13(31-2)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11](=[O:25])[O:32][CH2:10][C@@H:19]1[C@@H:21]([OH:28])[C@H:22]([OH:29])[C@@H:23]([OH:30])[C@H:24]([O:33][C:14]2=[CH:7][C:15]([OH:26])=[C:20]3[C:16](=[O:27])[CH:9]=[C:17]([C:12]4=[CH:4][CH:6]=[C:13]([O:31][CH3:2])[CH:5]=[CH:3]4)[O:34][C:18]3=[CH:8]2)[O:35]1 |
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