| Properties | Image |
MNX_ID | MNXM29983 |
 |
reference | lipidmapsM:LMPK12113383 |
formula | C20H20O10 |
global charge | 0 |
mol weight | 420.37 |
InChIKey | GABPPIKPVIRAPL-UHFFFAOYSA-N |
InChI | InChI=1S/C20H20O10/c1-25-10-6-8(9(21)7-11(10)26-2)16-19(28-4)14(23)12-13(22)18(27-3)15(24)20(29-5)17(12)30-16/h6-7,21-22,24H,1-5H3 |
SMILES | COC1=CC(O)=C(C2=C(OC)C(=O)C3=C(O2)C(OC)=C(O)C(OC)=C3O)C=C1OC |
MNX internals
InChI (mnx) | InChI=1/C20H20O10/c1-25-10-6-8(9(21)7-11(10)26-2)16-19(28-4)14(23)12-13(22)18(27-3)15(24)20(29-5)17(12)30-16/h6-7,21-22,24H,1-5H3 |
 |
SMILES (mnx) | [CH3:1][O:25][C:10]1=[C:11]([O:26][CH3:2])[CH:7]=[C:9]([OH:21])[C:8]([C:16]2=[C:19]([O:28][CH3:4])[C:14](=[O:23])[C:12]3=[C:13]([OH:22])[C:18]([O:27][CH3:3])=[C:15]([OH:24])[C:20]([O:29][CH3:5])=[C:17]3[O:30]2)=[CH:6]1 |
|