| Properties | Image |
MNX_ID | MNXM6968 |
 |
reference | chebi:52267 |
formula | C15H3O4*7 |
global charge | 0 |
mol weight | |
InChIKey | |
InChI | |
SMILES | [*]C1=CC(C2=C(O)C(=O)C3=C(O2)C([*])=C(O)C([*])=C3[*])=C([*])C([*])=C1[*] |
MNX internals
InChI (mnx) | InChI=1/C22H24O4/c1-9-8-16(12(4)11(3)10(9)2)22-20(25)19(24)17-13(5)14(6)18(23)15(7)21(17)26-22/h8,23,25H,1-7H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1 |
 |
SMILES (mnx) | [13CH3:1][C:9]1=[CH:8][C:16]([C:22]2=[C:20]([OH:25])[C:19](=[O:24])[C:17]3=[C:21]([C:15]([13CH3:7])=[C:18]([OH:23])[C:14]([13CH3:6])=[C:13]3[13CH3:5])[O:26]2)=[C:12]([13CH3:4])[C:11]([13CH3:3])=[C:10]1[13CH3:2] |
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