InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) AuxInfo=1/1/N:1,2,3,4,5,6,7,8/E:(1,2)(7,8)/rA:20nCCCCCCOOHHHHHHHHHHHH/rB:;;s3;s1s2s3;s4;s6;d6;s1;s1;s1;s2;s2;s2;s3;s3;s4;s4;s5;s7;/rC:2.3588,-.8653,-.2628;.3229,-1.6788,1.0428;.2484,.592,-.2366;-1.2982,.7423,-.2713;.8067,-.8643,-.189;-1.8338,2.089,-.2963;-3.0462,2.2671,-.2942;-1.1363,3.0922,-.3075;2.791,-.357,.6021;2.7095,-.3591,-1.1646;2.752,-1.8837,-.2898;-.7593,-1.8131,1.0342;.6001,-1.178,1.9727;.7557,-2.6808,1.0491;.6426,1.084,-1.1317;.6328,1.1427,.6269;-1.6778,.2077,-1.1464;-1.7196,.2696,.6175;.449,-1.3876,-1.0819;-3.5983,1.581,-.2732;