| Properties | Image |
|---|
| MNX_ID | MNXM67665 |
 |
| reference | lipidmapsM:LMPK12111072 |
| formula | C23H24O11 |
| global charge | 0 |
| mol weight | 476.434 |
| InChIKey | DJWKORMQTKXUAX-CKSGFJDPSA-N |
| InChI | InChI=1S/C23H24O11/c1-31-14-7-15(32-2)18(23-21(30)20(29)19(28)16(8-24)34-23)22-17(14)12(27)6-13(33-22)9-3-4-10(25)11(26)5-9/h3-7,16,19-21,23-26,28-30H,8H2,1-2H3/t16-,19-,20+,21-,23+/m1/s1 |
| SMILES | COC1=CC(OC)=C2C(=O)C=C(C3=CC(O)=C(O)C=C3)OC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C23H24O11/c1-31-14-7-15(32-2)18(23-21(30)20(29)19(28)16(8-24)34-23)22-17(14)12(27)6-13(33-22)9-3-4-10(25)11(26)5-9/h3-7,16,19-21,23-26,28-30H,8H2,1-2H3/t16-,19-,20+,21-,23+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:31][C:14]1=[C:17]2[C:12](=[O:27])[CH:6]=[C:13]([C:9]3=[CH:5][C:11]([OH:26])=[C:10]([OH:25])[CH:4]=[CH:3]3)[O:33][C:22]2=[C:18]([C@H:23]2[C@H:21]([OH:30])[C@@H:20]([OH:29])[C@H:19]([OH:28])[C@@H:16]([CH2:8][OH:24])[O:34]2)[C:15]([O:32][CH3:2])=[CH:7]1 |
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