| Properties | Image |
MNX_ID | MNXM29748 |
 |
reference | lipidmapsM:LMPK12113376 |
formula | C20H20O9 |
global charge | 0 |
mol weight | 404.371 |
InChIKey | WRZAICQCSKNNDE-UHFFFAOYSA-N |
InChI | InChI=1S/C20H20O9/c1-24-9-6-7-10(11(21)8-9)15-17(25-2)13(22)12-14(23)18(26-3)20(28-5)19(27-4)16(12)29-15/h6-8,21,23H,1-5H3 |
SMILES | COC1=CC(O)=C(C2=C(OC)C(=O)C3=C(O2)C(OC)=C(OC)C(OC)=C3O)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C20H20O9/c1-24-9-6-7-10(11(21)8-9)15-17(25-2)13(22)12-14(23)18(26-3)20(28-5)19(27-4)16(12)29-15/h6-8,21,23H,1-5H3 |
 |
SMILES (mnx) | [CH3:1][O:24][C:9]1=[CH:8][C:11]([OH:21])=[C:10]([C:15]2=[C:17]([O:25][CH3:2])[C:13](=[O:22])[C:12]3=[C:14]([OH:23])[C:18]([O:26][CH3:3])=[C:20]([O:28][CH3:5])[C:19]([O:27][CH3:4])=[C:16]3[O:29]2)[CH:7]=[CH:6]1 |
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