| Properties | Image |
MNX_ID | MNXM27186 |
 |
reference | lipidmapsM:LMPK12120350 |
formula | C20H22O7 |
global charge | 0 |
mol weight | 374.389 |
InChIKey | HJEVKPPOPFNTMA-SOFGYWHQSA-N |
InChI | InChI=1S/C20H22O7/c1-23-14-9-7-12(10-15(14)24-2)6-8-13(21)18-16(25-3)11-17(26-4)20(27-5)19(18)22/h6-11,22H,1-5H3/b8-6+ |
SMILES | COC1=CC(OC)=C(OC)C(O)=C1C(=O)/C=C/C1=CC(OC)=C(OC)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C20H22O7/c1-23-14-9-7-12(10-15(14)24-2)6-8-13(21)18-16(25-3)11-17(26-4)20(27-5)19(18)22/h6-11,22H,1-5H3/b8-6+ |
 |
SMILES (mnx) | [CH3:1][O:23][C:14]1=[C:15]([O:24][CH3:2])[CH:10]=[C:12](/[CH:6]=[CH:8]/[C:13]([C:18]2=[C:19]([OH:22])[C:20]([O:27][CH3:5])=[C:17]([O:26][CH3:4])[CH:11]=[C:16]2[O:25][CH3:3])=[O:21])[CH:7]=[CH:9]1 |
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