| Properties | Image |
MNX_ID | MNXM23775 |
 |
reference | lipidmapsM:LMPK12113067 |
formula | C16H12O7 |
global charge | 0 |
mol weight | 316.265 |
InChIKey | AWORNRRHUKJOTJ-UHFFFAOYSA-N |
InChI | InChI=1S/C16H12O7/c1-22-10-6-9(18)11-13(20)14(21)15(23-16(11)12(10)19)7-4-2-3-5-8(7)17/h2-6,17-19,21H,1H3 |
SMILES | COC1=C(O)C2=C(C(=O)C(O)=C(C3=C(O)C=CC=C3)O2)C(O)=C1 |
MNX internals
InChI (mnx) | InChI=1/C16H12O7/c1-22-10-6-9(18)11-13(20)14(21)15(23-16(11)12(10)19)7-4-2-3-5-8(7)17/h2-6,17-19,21H,1H3 |
 |
SMILES (mnx) | [CH3:1][O:22][C:10]1=[C:12]([OH:19])[C:16]2=[C:11]([C:9]([OH:18])=[CH:6]1)[C:13](=[O:20])[C:14]([OH:21])=[C:15]([C:7]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:8]1[OH:17])[O:23]2 |
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