11 11 0 0000 0 0 0 0 0999 V2000 4.5691 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.2601 -0.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2601 -0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.1723 2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.3479 2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3633 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.8479 -1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4411 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 1 5 1 0 2 4 1 0 2 5 1 0 3 4 1 0 3 6 1 0 3 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 10 11 2 0 M END > InChI=1S/C9H16O2/c1-6-7-10-8(2,3)9(4,5)11-7/h6-7H,1H2,2-5H3 > YVHFPLVNDJTKLK-UHFFFAOYSA-N > 1/0/N:11,6,7,8,9,10,5,3,4,1,2/E:(2,3,4,5)(8,9)(10,11)/rA:27nOOCCCCCCCCCHHHHHHHHHHHHHHHH/rB:;s1;s2s3;s1s2;s3;s3;s4;s4;s5;d10;s5;s6;s6;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s11;s11;/rC:4.5691,.6384,0;3.2601,-.3126,0;3.7601,1.2262,0;2.9511,.6384,0;4.2601,-.3126,0;3.1723,2.0352,0;4.3479,2.0352,0;2.3633,1.4474,0;2,.3294,0;4.8479,-1.1217,0;4.4411,-2.0352,0;4.8724,-.2157,0;2.6707,1.6708,0;2.8079,2.5368,0;3.6739,2.3996,0;3.8463,2.3996,0;4.7123,2.5368,0;4.8494,1.6708,0;1.8617,1.083,0;1.9988,1.949,0;2.8649,1.8119,0;2.1916,-.2603,0;1.4103,.1378,0;1.8084,.919,0;5.4645,-1.0569,0;3.8245,-2.1,0;4.8055,-2.5368,0; > C9 H16 O2 > 156.2221 > O1C([H])(C([H])=C([H])[H])OC(C([H])([H])[H])(C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])[H] > 9380966 $$$$