| Properties | Image |
MNX_ID | MNXM23373 |
 |
reference | lipidmapsM:LMPK12113022 |
formula | C18H14O8 |
global charge | 0 |
mol weight | 358.302 |
InChIKey | KNMBMVIRNMTOOU-UHFFFAOYSA-N |
InChI | InChI=1S/C18H14O8/c1-22-17-9(19)6-12-13(18(17)23-2)14(20)15(21)16(26-12)8-3-4-10-11(5-8)25-7-24-10/h3-6,19,21H,7H2,1-2H3 |
SMILES | COC1=C(OC)C2=C(C=C1O)OC(C1=CC=C3OCOC3=C1)=C(O)C2=O |
MNX internals
InChI (mnx) | InChI=1/C18H14O8/c1-22-17-9(19)6-12-13(18(17)23-2)14(20)15(21)16(26-12)8-3-4-10-11(5-8)25-7-24-10/h3-6,19,21H,7H2,1-2H3 |
 |
SMILES (mnx) | [CH3:1][O:22][C:17]1=[C:18]([O:23][CH3:2])[C:13]2=[C:12]([CH:6]=[C:9]1[OH:19])[O:26][C:16]([C:8]1=[CH:5][C:11]3=[C:10]([CH:4]=[CH:3]1)[O:24][CH2:7][O:25]3)=[C:15]([OH:21])[C:14]2=[O:20] |
|