Mrv1533005141521452D 12 11 0 0 0 0 999 V2000 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 4 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 6 11 1 0 0 0 0 2 12 1 0 0 0 0 M CHG 1 10 -1 M END > NP0339903 > NP-MRD > CC(C)=CCCC(C)=CC([O-])=O > InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/p-1 > ZHYZQXUYZJNEHD-UHFFFAOYSA-M > C10H15O2 > 167.229 > 167.107753303 > 2 > 27 > 19.095577493020382 > 1 > 0 > -1 > 1 > 3,7-dimethylocta-2,6-dienoate > 3.15 > 2.822657834 > -2.20 > 0 > 0 > -1 > 5.2570869216140945 > 40.129999999999995 > 61.886599999999994 > 4 > 1 > 1.17e+00 g/l > 3,7-dimethylocta-2,6-dienoate > 0 > NP0339903 > geranate $$$$