| Properties | Image |
|---|
| MNX_ID | MNXM29501 |
 |
| reference | lipidmapsM:LMPK12111460 |
| formula | C24H26O13 |
| global charge | 0 |
| mol weight | 522.459 |
| InChIKey | QSLQKIQXZKDLIH-HPCJZBTHSA-N |
| InChI | InChI=1S/C24H26O13/c1-32-13-6-9(4-5-10(13)26)12-7-11(27)15-17(29)21(33-2)23(22(34-3)20(15)35-12)37-24-19(31)18(30)16(28)14(8-25)36-24/h4-7,14,16,18-19,24-26,28-31H,8H2,1-3H3/t14-,16-,18+,19-,24+/m1/s1 |
| SMILES | COC1=C(O)C=CC(C2=CC(=O)C3=C(O2)C(OC)=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(OC)=C3O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C24H26O13/c1-32-13-6-9(4-5-10(13)26)12-7-11(27)15-17(29)21(33-2)23(22(34-3)20(15)35-12)37-24-19(31)18(30)16(28)14(8-25)36-24/h4-7,14,16,18-19,24-26,28-31H,8H2,1-3H3/t14-,16-,18+,19-,24+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:32][C:13]1=[C:10]([OH:26])[CH:5]=[CH:4][C:9]([C:12]2=[CH:7][C:11](=[O:27])[C:15]3=[C:17]([OH:29])[C:21]([O:33][CH3:2])=[C:23]([O:37][C@H:24]4[C@H:19]([OH:31])[C@@H:18]([OH:30])[C@H:16]([OH:28])[C@@H:14]([CH2:8][OH:25])[O:36]4)[C:22]([O:34][CH3:3])=[C:20]3[O:35]2)=[CH:6]1 |
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