| Properties | Image |
MNX_ID | MNXM27111 |
 |
reference | lipidmapsM:LMPK12113292 |
formula | C17H14O7 |
global charge | 0 |
mol weight | 330.292 |
InChIKey | OAFYQEVUFFOPBR-UHFFFAOYSA-N |
InChI | InChI=1S/C17H14O7/c1-22-16-11(19)9-10(18)12(20)14(8-6-4-3-5-7-8)24-15(9)17(23-2)13(16)21/h3-7,19-21H,1-2H3 |
SMILES | COC1=C(O)C2=C(OC(C3=CC=CC=C3)=C(O)C2=O)C(OC)=C1O |
MNX internals
InChI (mnx) | InChI=1/C17H14O7/c1-22-16-11(19)9-10(18)12(20)14(8-6-4-3-5-7-8)24-15(9)17(23-2)13(16)21/h3-7,19-21H,1-2H3 |
 |
SMILES (mnx) | [CH3:1][O:22][C:16]1=[C:13]([OH:21])[C:17]([O:23][CH3:2])=[C:15]2[C:9](=[C:11]1[OH:19])[C:10](=[O:18])[C:12]([OH:20])=[C:14]([C:8]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[O:24]2 |
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