| Properties | Image |
MNX_ID | MNXM23224 |
 |
reference | lipidmapsM:LMPK12140088 |
formula | C18H16O6 |
global charge | 0 |
mol weight | 328.32 |
InChIKey | XALHUODREZHGDY-UHFFFAOYSA-N |
InChI | InChI=1S/C18H16O6/c1-20-16-6-11-12(19)7-14(24-15(11)8-17(16)21-2)10-3-4-13-18(5-10)23-9-22-13/h3-6,8,14H,7,9H2,1-2H3 |
SMILES | COC1=C(OC)C=C2C(=O)CC(C3=CC4=C(C=C3)OCO4)OC2=C1 |
MNX internals
InChI (mnx) | InChI=1/C18H16O6/c1-20-16-6-11-12(19)7-14(24-15(11)8-17(16)21-2)10-3-4-13-18(5-10)23-9-22-13/h3-6,8,14H,7,9H2,1-2H3/t14? |
 |
SMILES (mnx) | [CH3:1][O:20][C:16]1=[C:17]([O:21][CH3:2])[CH:8]=[C:15]2[C:11](=[CH:6]1)[C:12](=[O:19])[CH2:7][CH:14]([C:10]1=[CH:5][C:18]3=[C:13]([CH:4]=[CH:3]1)[O:22][CH2:9][O:23]3)[O:24]2 |
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