| Properties | Image |
MNX_ID | MNXM29695 |
 |
reference | lipidmapsM:LMPK12112866 |
formula | C16H12O7 |
global charge | 0 |
mol weight | 316.265 |
InChIKey | CAFWNRISMBVFFM-UHFFFAOYSA-N |
InChI | InChI=1S/C16H12O7/c1-22-8-4-2-7(3-5-8)16-15(21)14(20)11-10(23-16)6-9(17)12(18)13(11)19/h2-6,17-19,21H,1H3 |
SMILES | COC1=CC=C(C2=C(O)C(=O)C3=C(C=C(O)C(O)=C3O)O2)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C16H12O7/c1-22-8-4-2-7(3-5-8)16-15(21)14(20)11-10(23-16)6-9(17)12(18)13(11)19/h2-6,17-19,21H,1H3 |
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SMILES (mnx) | [CH3:1][O:22][C:8]1=[CH:5][CH:3]=[C:7]([C:16]2=[C:15]([OH:21])[C:14](=[O:20])[C:11]3=[C:10]([CH:6]=[C:9]([OH:17])[C:12]([OH:18])=[C:13]3[OH:19])[O:23]2)[CH:2]=[CH:4]1 |
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