| Properties | Image |
MNX_ID | MNXM25298 |
 |
reference | lipidmapsM:LMPK12140662 |
formula | C18H18O5 |
global charge | 0 |
mol weight | 314.337 |
InChIKey | CQNKQOFKXLLWRE-UHFFFAOYSA-N |
InChI | InChI=1S/C18H18O5/c1-20-14-10-15(21-2)17(22-3)18-16(14)12(19)9-13(23-18)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3 |
SMILES | COC1=CC(OC)=C(OC)C2=C1C(=O)CC(C1=CC=CC=C1)O2 |
MNX internals
InChI (mnx) | InChI=1/C18H18O5/c1-20-14-10-15(21-2)17(22-3)18-16(14)12(19)9-13(23-18)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t13? |
 |
SMILES (mnx) | [CH3:1][O:20][C:14]1=[CH:10][C:15]([O:21][CH3:2])=[C:17]([O:22][CH3:3])[C:18]2=[C:16]1[C:12](=[O:19])[CH2:9][CH:13]([C:11]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[O:23]2 |
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