| Properties | Image |
|---|
| MNX_ID | MNXM102923 |
 |
| reference | chebi:67827 |
| formula | C22H20O8 |
| global charge | 0 |
| mol weight | 412.394 |
| InChIKey | VXTQFTUOAJRUDO-IFMALSPDSA-N |
| InChI | InChI=1S/C22H20O8/c1-21(2,26)6-5-10-3-4-11(23)14-17(24)15-12(29-19(10)14)9-13-16(18(15)25)22(27)7-8-28-20(22)30-13/h3-4,7-9,20,23,25-27H,5-6H2,1-2H3/t20-,22-/m1/s1 |
| SMILES | CC(C)(O)CCC1=C2OC3=C(C(=O)C2=C(O)C=C1)C(O)=C1C(=C3)O[C@H]2OC=C[C@@]12O |
MNX internals
| InChI (mnx) | InChI=1/C22H20O8/c1-21(2,26)6-5-10-3-4-11(23)14-17(24)15-12(29-19(10)14)9-13-16(18(15)25)22(27)7-8-28-20(22)30-13/h3-4,7-9,20,23,25-27H,5-6H2,1-2H3/t20-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:21]([CH3:2])([CH2:6][CH2:5][C:10]1=[C:19]2[C:14](=[C:11]([OH:23])[CH:4]=[CH:3]1)[C:17](=[O:24])[C:15]1=[C:18]([OH:25])[C:16]3=[C:13]([CH:9]=[C:12]1[O:29]2)[O:30][C@@H:20]1[C@@:22]3([OH:27])[CH:7]=[CH:8][O:28]1)[OH:26] |
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