| Properties | Image |
|---|
| MNX_ID | MNXM25951 |
 |
| reference | lipidmapsM:LMPK12111294 |
| formula | C25H28O12 |
| global charge | 0 |
| mol weight | 520.487 |
| InChIKey | PPQXLPYIRAWACL-PKPXASJOSA-N |
| InChI | InChI=1S/C25H28O12/c1-31-13-7-5-6-11(22(13)33-3)14-8-12(27)18-15(9-16(32-2)23(34-4)24(18)35-14)36-25-21(30)20(29)19(28)17(10-26)37-25/h5-9,17,19-21,25-26,28-30H,10H2,1-4H3/t17-,19-,20+,21-,25-/m1/s1 |
| SMILES | COC1=CC=CC(C2=CC(=O)C3=C(O2)C(OC)=C(OC)C=C3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C25H28O12/c1-31-13-7-5-6-11(22(13)33-3)14-8-12(27)18-15(9-16(32-2)23(34-4)24(18)35-14)36-25-21(30)20(29)19(28)17(10-26)37-25/h5-9,17,19-21,25-26,28-30H,10H2,1-4H3/t17-,19-,20+,21-,25-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:31][C:13]1=[CH:7][CH:5]=[CH:6][C:11]([C:14]2=[CH:8][C:12](=[O:27])[C:18]3=[C:15]([O:36][C@H:25]4[C@H:21]([OH:30])[C@@H:20]([OH:29])[C@H:19]([OH:28])[C@@H:17]([CH2:10][OH:26])[O:37]4)[CH:9]=[C:16]([O:32][CH3:2])[C:23]([O:34][CH3:4])=[C:24]3[O:35]2)=[C:22]1[O:33][CH3:3] |
|