| Properties | Image |
MNX_ID | MNXM23630 |
 |
reference | lipidmapsM:LMPK12110952 |
formula | C18H16O8 |
global charge | 0 |
mol weight | 360.318 |
InChIKey | KHVJWEFGGGAAEH-UHFFFAOYSA-N |
InChI | InChI=1S/C18H16O8/c1-23-14-6-9(17(24-2)18(25-3)16(14)22)12-7-11(21)15-10(20)4-8(19)5-13(15)26-12/h4-7,19-20,22H,1-3H3 |
SMILES | COC1=C(O)C(OC)=C(OC)C(C2=CC(=O)C3=C(C=C(O)C=C3O)O2)=C1 |
MNX internals
InChI (mnx) | InChI=1/C18H16O8/c1-23-14-6-9(17(24-2)18(25-3)16(14)22)12-7-11(21)15-10(20)4-8(19)5-13(15)26-12/h4-7,19-20,22H,1-3H3 |
 |
SMILES (mnx) | [CH3:1][O:23][C:14]1=[C:16]([OH:22])[C:18]([O:25][CH3:3])=[C:17]([O:24][CH3:2])[C:9]([C:12]2=[CH:7][C:11](=[O:21])[C:15]3=[C:10]([OH:20])[CH:4]=[C:8]([OH:19])[CH:5]=[C:13]3[O:26]2)=[CH:6]1 |
|