| Properties | Image |
MNX_ID | MNXM23288 |
 |
reference | lipidmapsM:LMPK12160014 |
formula | C16H12O5 |
global charge | 0 |
mol weight | 284.267 |
InChIKey | CSQQQDLQNMHAPD-UHFFFAOYSA-N |
InChI | InChI=1S/C16H12O5/c1-20-11-4-5-12(14(18)8-11)13-6-9-2-3-10(17)7-15(9)21-16(13)19/h2-8,17-18H,1H3 |
SMILES | COC1=CC=C(C2=CC3=CC=C(O)C=C3OC2=O)C(O)=C1 |
MNX internals
InChI (mnx) | InChI=1/C16H12O5/c1-20-11-4-5-12(14(18)8-11)13-6-9-2-3-10(17)7-15(9)21-16(13)19/h2-8,17-18H,1H3 |
 |
SMILES (mnx) | [CH3:1][O:20][C:11]1=[CH:8][C:14]([OH:18])=[C:12]([C:13]2=[CH:6][C:9]3=[C:15]([CH:7]=[C:10]([OH:17])[CH:3]=[CH:2]3)[O:21][C:16]2=[O:19])[CH:5]=[CH:4]1 |
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