| Properties | Image |
MNX_ID | MNXM38141 |
 |
reference | lipidmapsM:LMPK12111410 |
formula | C23H22O8 |
global charge | 0 |
mol weight | 426.421 |
InChIKey | QOXJILVSGINTCU-UHFFFAOYSA-N |
InChI | InChI=1S/C23H22O8/c1-23(2)7-6-12-18(25)17-13(24)10-14(30-21(17)22(29-5)20(12)31-23)11-8-15(27-3)19(26)16(9-11)28-4/h6-10,25-26H,1-5H3 |
SMILES | COC1=CC(C2=CC(=O)C3=C(O2)C(OC)=C2OC(C)(C)C=CC2=C3O)=CC(OC)=C1O |
MNX internals
InChI (mnx) | InChI=1/C23H22O8/c1-23(2)7-6-12-18(25)17-13(24)10-14(30-21(17)22(29-5)20(12)31-23)11-8-15(27-3)19(26)16(9-11)28-4/h6-10,25-26H,1-5H3 |
 |
SMILES (mnx) | [CH3:1][C:23]1([CH3:2])[CH:7]=[CH:6][C:12]2=[C:18]([OH:25])[C:17]3=[C:21]([C:22]([O:29][CH3:5])=[C:20]2[O:31]1)[O:30][C:14]([C:11]1=[CH:8][C:15]([O:27][CH3:3])=[C:19]([OH:26])[C:16]([O:28][CH3:4])=[CH:9]1)=[CH:10][C:13]3=[O:24] |
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