| Properties | Image |
|---|
| MNX_ID | MNXM101531 |
 |
| reference | chebi:67926 |
| formula | C23H22O12 |
| global charge | 0 |
| mol weight | 490.417 |
| InChIKey | MWEQHAGXLGTSKL-OPCQMSRDSA-N |
| InChI | InChI=1S/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17-,19+,22-,23+/m1/s1 |
| SMILES | CC(=O)O[C@H]1[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17-,19+,22-,23+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9](=[O:25])[O:32][C@@H:22]1[C@@H:19]([OH:31])[C@H:17]([OH:29])[C@@H:15]([CH2:8][OH:24])[O:34][C@H:23]1[O:35][C:21]1=[C:20]([C:10]2=[CH:3][CH:5]=[C:11]([OH:26])[CH:4]=[CH:2]2)[O:33][C:14]2=[CH:7][C:12]([OH:27])=[CH:6][C:13]([OH:28])=[C:16]2[C:18]1=[O:30] |
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