InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9/E:(2,3)(4,5)(8,9)/rA:21nCCCCCCCOOHHHHHHHHHHHH/rB:s1;s1;s2;s3;s4s5;s6;s7;d7;s1;s1;s2;s2;s3;s3;s4;s4;s5;s5;s6;s8;/rC:1.897,.7279,-.1674;1.7026,-.8106,-.1706;.6639,1.6676,-.1599;.2738,-1.4175,-.1918;-.7693,1.0712,-.1476;-.9799,-.4796,-.1112;-1.9425,-.8427,.9293;-3.1481,-.667,.7856;-1.6041,-1.2703,2.0229;2.5229,.995,-1.0251;2.518,.9846,.6976;2.2582,-1.2215,-1.0207;2.2312,-1.2132,.7002;.7452,2.3441,-1.0175;.7614,2.3362,.7025;.194,-2.0415,-1.0898;.2462,-2.1712,.6012;-1.2998,1.4717,-1.0195;-1.2943,1.5561,.684;-1.5122,-.705,-1.0458;-3.4641,-.3142,.0435;