3672 Marvin 12300703363D 33 33 0 0 1 0 999 V2000 2.8096 4.1331 1.0502 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 2.5238 1.8027 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 -2.8161 0.8659 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0017 -2.3809 -0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -1.0944 -0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 1.4216 -0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 2.7325 -0.5613 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0404 -4.1913 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1227 -1.7716 1.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1485 -1.0408 -0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 0.1202 -0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 0.1979 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3093 1.3515 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1686 3.8819 -1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 3.1364 0.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 -2.9559 1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 -3.1631 -1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 -2.3184 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8029 2.5929 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 -4.9531 0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2006 -4.5290 1.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0115 -4.1341 0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3433 -2.1437 2.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0666 -1.5219 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5524 -0.8513 1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7011 -1.9019 -0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0032 0.1244 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 0.1919 -0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 2.1928 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 3.5465 -2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8364 4.7399 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2534 4.2393 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1157 4.6409 0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 33 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 M END > 10 12 8 11 13 8 5 10 8 5 11 8 6 12 8 6 13 8 7 14 3 > InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1 > HEFNNWSXXWATRW-SNVBAGLBSA-N > 1/1/N:8,9,14,10,11,12,13,4,3,7,5,6,15,1,2/E:(1,2)(4,5)(6,7)(14,15)/it:im/rA:33cOOCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHH/rB:;;s3;s4;;s6;s3;s3;d5;s5;d6s10;s6d11;s7;s1d2s7;s3;s4;s4;s7;s8;s8;s8;s9;s9;s9;s10;s11;s12;s13;s14;s14;s14;s1;/rC:2.8096,4.1331,1.0502;1.768,2.5238,1.8027;-1.3222,-2.8161,.8659;-1.0017,-2.3809,-.5997;-.264,-1.0944,-.6854;1.1053,1.4216,-.6446;1.831,2.7325,-.5613;-2.0404,-4.1913,.8922;-2.1227,-1.7716,1.6964;1.1485,-1.0408,-.6716;-.9802,.1202,-.7169;1.8169,.1979,-.6567;-.3093,1.3515,-.6673;1.1686,3.8819,-1.3769;2.1371,3.1364,.8088;-.3657,-2.9559,1.3809;-.4161,-3.1631,-1.0927;-1.9283,-2.3184,-1.1788;2.8029,2.5929,-1.048;-1.4415,-4.9531,.3894;-2.2006,-4.529,1.9183;-3.0115,-4.1341,.3957;-2.3433,-2.1437,2.6985;-3.0666,-1.5219,1.2073;-1.5524,-.8513,1.8339;1.7011,-1.9019,-.6568;-2.0032,.1244,-.7464;2.841,.1919,-.6373;-.8854,2.1928,-.6375;.9197,3.5465,-2.3863;1.8364,4.7399,-1.476;.2534,4.2393,-.8995;3.1157,4.6409,.3995; > C13 H18 O2 > 206.2808 > O([H])C([C@]([H])(C([H])([H])[H])C1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O > 3544 $$$$