| Properties | Image |
MNX_ID | MNXM28712 |
 |
reference | lipidmapsM:LMPK12113329 |
formula | C17H14O9 |
global charge | 0 |
mol weight | 362.29 |
InChIKey | KSJBARLBEFNDQZ-UHFFFAOYSA-N |
InChI | InChI=1S/C17H14O9/c1-24-16-11(21)9-10(20)12(22)14(6-3-4-7(18)8(19)5-6)26-15(9)17(25-2)13(16)23/h3-5,18-19,21-23H,1-2H3 |
SMILES | COC1=C(O)C2=C(OC(C3=CC(O)=C(O)C=C3)=C(O)C2=O)C(OC)=C1O |
MNX internals
InChI (mnx) | InChI=1/C17H14O9/c1-24-16-11(21)9-10(20)12(22)14(6-3-4-7(18)8(19)5-6)26-15(9)17(25-2)13(16)23/h3-5,18-19,21-23H,1-2H3 |
 |
SMILES (mnx) | [CH3:1][O:24][C:16]1=[C:13]([OH:23])[C:17]([O:25][CH3:2])=[C:15]2[C:9](=[C:11]1[OH:21])[C:10](=[O:20])[C:12]([OH:22])=[C:14]([C:6]1=[CH:5][C:8]([OH:19])=[C:7]([OH:18])[CH:4]=[CH:3]1)[O:26]2 |
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