| Properties | Image |
MNX_ID | MNXM107983 |
 |
reference | chebi:68229 |
formula | C16H12O6 |
global charge | 0 |
mol weight | 300.266 |
InChIKey | TWQNCGDOHUNFFU-UHFFFAOYSA-N |
InChI | InChI=1S/C16H12O6/c1-7-5-9(18)12-11(6-7)22-10-4-3-8(17)13(16(20)21-2)14(10)15(12)19/h3-6,17-18H,1-2H3 |
SMILES | COC(=O)C1=C2C(=O)C3=C(O)C=C(C)C=C3OC2=CC=C1O |
MNX internals
InChI (mnx) | InChI=1/C16H12O6/c1-7-5-9(18)12-11(6-7)22-10-4-3-8(17)13(16(20)21-2)14(10)15(12)19/h3-6,17-18H,1-2H3 |
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SMILES (mnx) | [CH3:1][C:7]1=[CH:5][C:9]([OH:18])=[C:12]2[C:11](=[CH:6]1)[O:22][C:10]1=[C:14]([C:13]([C:16](=[O:20])[O:21][CH3:2])=[C:8]([OH:17])[CH:3]=[CH:4]1)[C:15]2=[O:19] |
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