| Properties | Image |
MNX_ID | MNXM29471 |
 |
reference | lipidmapsM:LMPK12113226 |
formula | C23H24O8 |
global charge | 0 |
mol weight | 428.437 |
InChIKey | JBGSDQZIBUGNCO-UHFFFAOYSA-N |
InChI | InChI=1S/C23H24O8/c1-12(2)8-9-30-16-7-6-13(10-17(16)27-3)20-23(29-5)19(26)18-14(24)11-15(25)21(28-4)22(18)31-20/h6-8,10-11,24-25H,9H2,1-5H3 |
SMILES | COC1=C(OCC=C(C)C)C=CC(C2=C(OC)C(=O)C3=C(O2)C(OC)=C(O)C=C3O)=C1 |
MNX internals
InChI (mnx) | InChI=1/C23H24O8/c1-12(2)8-9-30-16-7-6-13(10-17(16)27-3)20-23(29-5)19(26)18-14(24)11-15(25)21(28-4)22(18)31-20/h6-8,10-11,24-25H,9H2,1-5H3 |
 |
SMILES (mnx) | [CH3:1][C:12]([CH3:2])=[CH:8][CH2:9][O:30][C:16]1=[C:17]([O:27][CH3:3])[CH:10]=[C:13]([C:20]2=[C:23]([O:29][CH3:5])[C:19](=[O:26])[C:18]3=[C:22]([C:21]([O:28][CH3:4])=[C:15]([OH:25])[CH:11]=[C:14]3[OH:24])[O:31]2)[CH:6]=[CH:7]1 |
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