| Properties | Image |
MNX_ID | MNXM5000 |
 |
reference | keggC:C05848 |
formula | C17H22O3 |
global charge | 0 |
mol weight | 274.36 |
InChIKey | HKIMBCGCVPYUTJ-NTUHNPAUSA-N |
InChI | InChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)7-8-14-11-15(17(19)20)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3,(H,19,20)/b13-7+ |
SMILES | CC(C)=CCC/C(C)=C/CC1=C(O)C=CC(C(=O)O)=C1 |
MNX internals
InChI (mnx) | InChI=1/C17H22O3/c1-12(2)5-4-6-13(3)7-8-14-11-15(17(19)20)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3,(H,19,20)/b13-7+ |
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SMILES (mnx) | [CH3:1][C:12]([CH3:2])=[CH:5][CH2:4][CH2:6]/[C:13]([CH3:3])=[CH:7]/[CH2:8][C:14]1=[C:16]([OH:18])[CH:10]=[CH:9][C:15]([C:17]([OH:19])=[O:20])=[CH:11]1 |
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