| Properties | Image |
| MNX_ID | MNXM26390 |
 |
| reference | lipidmapsM:LMPK12120218 |
| formula | C21H22O4 |
| global charge | 0 |
| mol weight | 338.403 |
| InChIKey | IWBMROHTOJZYOJ-MDZDMXLPSA-N |
| InChI | InChI=1S/C21H22O4/c1-15(2)11-12-25-17-13-19(23)21(20(14-17)24-3)18(22)10-9-16-7-5-4-6-8-16/h4-11,13-14,23H,12H2,1-3H3/b10-9+ |
| SMILES | COC1=CC(OCC=C(C)C)=CC(O)=C1C(=O)/C=C/C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H22O4/c1-15(2)11-12-25-17-13-19(23)21(20(14-17)24-3)18(22)10-9-16-7-5-4-6-8-16/h4-11,13-14,23H,12H2,1-3H3/b10-9+ |
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| SMILES (mnx) | [CH3:1][C:15]([CH3:2])=[CH:11][CH2:12][O:25][C:17]1=[CH:13][C:19]([OH:23])=[C:21]([C:18](/[CH:10]=[CH:9]/[C:16]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)=[O:22])[C:20]([O:24][CH3:3])=[CH:14]1 |
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