| Properties | Image |
MNX_ID | MNXM24552 |
 |
reference | lipidmapsM:LMFA06000157 |
formula | C12H20O |
global charge | 0 |
mol weight | 180.291 |
InChIKey | LDQDYNHCLZNOFB-IGTJQSIKSA-N |
InChI | InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+ |
SMILES | CCCC/C=C\C=C\CCCC=O |
MNX internals
InChI (mnx) | InChI=1/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+ |
 |
SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4]/[CH:5]=[CH:6]\[CH:7]=[CH:8]\[CH2:9][CH2:10][CH2:11][CH:12]=[O:13] |
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