| Properties | Image |
| MNX_ID | MNXM166708 |
 |
| reference | metacycM:CPD-18187 |
| formula | C16H16O7 |
| global charge | 0 |
| mol weight | 320.297 |
| InChIKey | UCYOFXBWPFDSQB-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H16O7/c1-16(20)5-7-8(6-23-16)14(18)11-9(21-2)4-10(22-3)15(19)12(11)13(7)17/h4,19-20H,5-6H2,1-3H3 |
| SMILES | COC1=CC(OC)=C(O)C2=C1C(=O)C1=C(CC(C)(O)OC1)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C16H16O7/c1-16(20)5-7-8(6-23-16)14(18)11-9(21-2)4-10(22-3)15(19)12(11)13(7)17/h4,19-20H,5-6H2,1-3H3/t16? |
 |
| SMILES (mnx) | [CH3:1][C:16]1([OH:20])[CH2:5][C:7]2=[C:8]([CH2:6][O:23]1)[C:14](=[O:18])[C:11]1=[C:12]([C:13]2=[O:17])[C:15]([OH:19])=[C:10]([O:22][CH3:3])[CH:4]=[C:9]1[O:21][CH3:2] |
|