| Properties | Image |
|---|
| MNX_ID | MNXM100898 |
 |
| reference | chebi:65848 |
| formula | C22H18O10 |
| global charge | 0 |
| mol weight | 442.376 |
| InChIKey | LVJJFMLUMNSUFN-DYESRHJHSA-N |
| InChI | InChI=1S/C22H18O10/c23-11-6-18-12(8-17(28)21(31-18)9-1-2-13(24)14(25)3-9)19(7-11)32-22(30)10-4-15(26)20(29)16(27)5-10/h1-7,17,21,23-29H,8H2/t17-,21-/m1/s1 |
| SMILES | O=C(OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C=C1)O2)C1=CC(O)=C(O)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H18O10/c23-11-6-18-12(8-17(28)21(31-18)9-1-2-13(24)14(25)3-9)19(7-11)32-22(30)10-4-15(26)20(29)16(27)5-10/h1-7,17,21,23-29H,8H2/t17-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:13]([OH:24])=[C:14]([OH:25])[CH:3]=[C:9]1[C@@H:21]1[C@H:17]([OH:28])[CH2:8][C:12]2=[C:18]([CH:6]=[C:11]([OH:23])[CH:7]=[C:19]2[O:32][C:22]([C:10]2=[CH:4][C:15]([OH:26])=[C:20]([OH:29])[C:16]([OH:27])=[CH:5]2)=[O:30])[O:31]1 |
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