| Properties | Image |
MNX_ID | MNXM26879 |
 |
reference | lipidmapsM:LMPK12140658 |
formula | C18H16O6 |
global charge | 0 |
mol weight | 328.32 |
InChIKey | LXSSYOWDEYWICX-UHFFFAOYSA-N |
InChI | InChI=1S/C18H16O6/c1-10(19)23-17-15(22-2)9-13(21)16-12(20)8-14(24-18(16)17)11-6-4-3-5-7-11/h3-7,9,14,21H,8H2,1-2H3 |
SMILES | COC1=C(OC(C)=O)C2=C(C(=O)CC(C3=CC=CC=C3)O2)C(O)=C1 |
MNX internals
InChI (mnx) | InChI=1/C18H16O6/c1-10(19)23-17-15(22-2)9-13(21)16-12(20)8-14(24-18(16)17)11-6-4-3-5-7-11/h3-7,9,14,21H,8H2,1-2H3/t14? |
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SMILES (mnx) | [CH3:1][C:10](=[O:19])[O:23][C:17]1=[C:15]([O:22][CH3:2])[CH:9]=[C:13]([OH:21])[C:16]2=[C:18]1[O:24][CH:14]([C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[CH2:8][C:12]2=[O:20] |
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