| Properties | Image |
|---|
| MNX_ID | MNXM117726 |
 |
| reference | hmdb:HMDB0041684 |
| formula | C22H23O12 |
| global charge | 1 |
| mol weight | 479.414 |
| InChIKey | JMQNGULBWFJHCJ-NFSXTHTRSA-O |
| InChI | InChI=1S/C22H22O12/c1-31-21-12(26)2-8(3-13(21)27)20-15(6-10-11(25)4-9(24)5-14(10)32-20)33-22-19(30)18(29)17(28)16(7-23)34-22/h2-6,16-19,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,17-,18+,19-,22-/m1/s1 |
| SMILES | COC1=C(O)C=C(C2=[O+]C3=C(C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=CC(O)=C3)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C22H22O12/c1-31-21-12(26)2-8(3-13(21)27)20-15(6-10-11(25)4-9(24)5-14(10)32-20)33-22-19(30)18(29)17(28)16(7-23)34-22/h2-6,16-19,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/t16-,17-,18+,19-,22-/m1/s1 |
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| SMILES (mnx) | [CH3:1][O:31][C:21]1=[C:12]([OH:26])[CH:2]=[C:8]([C:20]2=[O+:32][C:14]3=[CH:5][C:9]([OH:24])=[CH:4][C:11]([OH:25])=[C:10]3[CH:6]=[C:15]2[O:33][C@H:22]2[C@H:19]([OH:30])[C@@H:18]([OH:29])[C@H:17]([OH:28])[C@@H:16]([CH2:7][OH:23])[O:34]2)[CH:3]=[C:13]1[O-:27] |
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