7 6 0 0000 0 0 0 0 0999 V2000 1.1465 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3115 -1.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4396 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6046 -1.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3115 -3.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4350 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 5 1 0 3 4 1 0 3 7 1 0 M END > InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3 > ZXNBBWHRUSXUFZ-UHFFFAOYSA-N > 1/0/N:6,5,4,1,2,3,7/rA:7nCCCCCCO/rB:s1;s2;s3;s2;s1;s3;/rC:1.1465,-1.3353,0;2.3115,-1.9938,0;3.4396,-1.3353,0;4.6046,-1.9938,0;2.3115,-3.3245,0;0,-2.0122,0;3.435,0,0; > C6 H14 O > 102.1748 > C(C)C(C)C(O)C > 10787 $$$$