| Properties | Image |
|---|
| MNX_ID | MNXM42600 |
 |
| reference | chebi:31238 |
| formula | C20H14O7 |
| global charge | 0 |
| mol weight | 366.325 |
| InChIKey | JEHSMJTYFMMHKE-HXUWFJFHSA-N |
| InChI | InChI=1S/C20H14O7/c1-23-13-4-3-12-16(17(13)24-2)19(22)27-20(12)6-5-10-7-14-15(26-9-25-14)8-11(10)18(20)21/h3-8H,9H2,1-2H3/t20-/m1/s1 |
| SMILES | COC1=C(OC)C2=C(C=C1)[C@@]1(C=CC3=C(C=C4OCOC4=C3)C1=O)OC2=O |
MNX internals
| InChI (mnx) | InChI=1/C20H14O7/c1-23-13-4-3-12-16(17(13)24-2)19(22)27-20(12)6-5-10-7-14-15(26-9-25-14)8-11(10)18(20)21/h3-8H,9H2,1-2H3/t20-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:23][C:13]1=[C:17]([O:24][CH3:2])[C:16]2=[C:12]([CH:3]=[CH:4]1)[C@@:20]1([CH:6]=[CH:5][C:10]3=[CH:7][C:14]4=[C:15]([CH:8]=[C:11]3[C:18]1=[O:21])[O:26][CH2:9][O:25]4)[O:27][C:19]2=[O:22] |
|