| Properties | Image |
MNX_ID | MNXM23567 |
 |
reference | lipidmapsM:LMPK12111454 |
formula | C17H14O7 |
global charge | 0 |
mol weight | 330.292 |
InChIKey | FDKQAGATKAUCGK-UHFFFAOYSA-N |
InChI | InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)11-7-10(18)12-13(19)14(20)15(21)17(23-2)16(12)24-11/h3-7,19-21H,1-2H3 |
SMILES | COC1=CC=C(C2=CC(=O)C3=C(O2)C(OC)=C(O)C(O)=C3O)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C17H14O7/c1-22-9-5-3-8(4-6-9)11-7-10(18)12-13(19)14(20)15(21)17(23-2)16(12)24-11/h3-7,19-21H,1-2H3 |
 |
SMILES (mnx) | [CH3:1][O:22][C:9]1=[CH:6][CH:4]=[C:8]([C:11]2=[CH:7][C:10](=[O:18])[C:12]3=[C:13]([OH:19])[C:14]([OH:20])=[C:15]([OH:21])[C:17]([O:23][CH3:2])=[C:16]3[O:24]2)[CH:3]=[CH:5]1 |
|