| Properties | Image |
MNX_ID | MNXM25862 |
 |
reference | lipidmapsM:LMPK12130050 |
formula | C18H16O6 |
global charge | 0 |
mol weight | 328.32 |
InChIKey | IEOVAYFLORPJRQ-VIZOYTHASA-N |
InChI | InChI=1S/C18H16O6/c1-9-11(19)8-14-16(18(9)23-3)17(21)15(24-14)7-10-4-5-13(22-2)12(20)6-10/h4-8,19-20H,1-3H3/b15-7+ |
SMILES | COC1=CC=C(/C=C2/OC3=C(C2=O)C(OC)=C(C)C(O)=C3)C=C1O |
MNX internals
InChI (mnx) | InChI=1/C18H16O6/c1-9-11(19)8-14-16(18(9)23-3)17(21)15(24-14)7-10-4-5-13(22-2)12(20)6-10/h4-8,19-20H,1-3H3/b15-7+ |
 |
SMILES (mnx) | [CH3:1][C:9]1=[C:18]([O:23][CH3:3])[C:16]2=[C:14]([CH:8]=[C:11]1[OH:19])[O:24]/[C:15](=[CH:7]/[C:10]1=[CH:6][C:12]([OH:20])=[C:13]([O:22][CH3:2])[CH:5]=[CH:4]1)[C:17]2=[O:21] |
|