| Properties | Image |
MNX_ID | MNXM28178 |
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reference | lipidmapsM:LMPK12140173 |
formula | C21H22O4 |
global charge | 0 |
mol weight | 338.403 |
InChIKey | OQDMTHUDYVQCEY-UHFFFAOYSA-N |
InChI | InChI=1S/C21H22O4/c1-14(2)9-10-24-16-11-19(23-3)21-17(22)13-18(25-20(21)12-16)15-7-5-4-6-8-15/h4-9,11-12,18H,10,13H2,1-3H3 |
SMILES | COC1=CC(OCC=C(C)C)=CC2=C1C(=O)CC(C1=CC=CC=C1)O2 |
MNX internals
InChI (mnx) | InChI=1/C21H22O4/c1-14(2)9-10-24-16-11-19(23-3)21-17(22)13-18(25-20(21)12-16)15-7-5-4-6-8-15/h4-9,11-12,18H,10,13H2,1-3H3/t18? |
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SMILES (mnx) | [CH3:1][C:14]([CH3:2])=[CH:9][CH2:10][O:24][C:16]1=[CH:11][C:19]([O:23][CH3:3])=[C:21]2[C:17](=[O:22])[CH2:13][CH:18]([C:15]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[O:25][C:20]2=[CH:12]1 |
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