| Properties | Image |
MNX_ID | MNXM29006 |
 |
reference | lipidmapsM:LMPK12113078 |
formula | C21H18O7 |
global charge | 0 |
mol weight | 382.368 |
InChIKey | LHTQNTJIVRJGJN-WCIBSUBMSA-N |
InChI | InChI=1S/C21H18O7/c1-4-11(2)21(25)28-20-16(24)15-13(22)10-14(23)18(26-3)19(15)27-17(20)12-8-6-5-7-9-12/h4-10,22-23H,1-3H3/b11-4- |
SMILES | C/C=C(/C)C(=O)OC1=C(C2=CC=CC=C2)OC2=C(C1=O)C(O)=CC(O)=C2OC |
MNX internals
InChI (mnx) | InChI=1/C21H18O7/c1-4-11(2)21(25)28-20-16(24)15-13(22)10-14(23)18(26-3)19(15)27-17(20)12-8-6-5-7-9-12/h4-10,22-23H,1-3H3/b11-4- |
 |
SMILES (mnx) | [CH3:1]/[CH:4]=[C:11](/[CH3:2])[C:21](=[O:25])[O:28][C:20]1=[C:17]([C:12]2=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]2)[O:27][C:19]2=[C:15]([C:13]([OH:22])=[CH:10][C:14]([OH:23])=[C:18]2[O:26][CH3:3])[C:16]1=[O:24] |
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