Mrv1652306242117283D 37 36 0 0 0 0 999 V2000 6.9545 1.0851 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5888 1.3993 0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 0.4289 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9844 -0.7703 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1907 0.8037 -0.1154 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3824 -0.4673 -0.3040 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9607 -0.0488 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 0.8553 -1.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0753 -0.5008 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3448 -0.0997 0.2992 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1941 -1.3122 0.1160 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6514 -0.9788 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6397 -2.0645 -0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0847 0.2640 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4924 0.5442 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3978 -0.2781 -0.2587 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8967 1.8934 -0.0349 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 0.5980 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5197 2.0397 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2559 0.4596 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8925 1.3099 0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0382 1.4546 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 -1.1510 0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7326 -0.9290 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 0.4147 -2.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 0.8629 -2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3968 1.8865 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3884 -1.1545 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6403 0.4035 1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5045 0.6291 -0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9303 -1.8894 -0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -1.9754 0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0839 -3.0345 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 -2.1614 0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1087 -1.9671 -1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3651 1.0382 0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5220 2.4121 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 17 37 1 0 0 0 0 M END > NP0016421 > NP-MRD > [H]OC(=O)C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[H] > InChI=1S/C13H20O4/c1-10(7-8-13(16)17-3)5-4-6-11(2)9-12(14)15/h5,9H,4,6-8H2,1-3H3,(H,14,15)/b10-5+,11-9+ > YGMFRMJDLJQZDH-WTIVLTGYSA-N > C13H20O4 > 240.299 > 240.136159124 > 3 > 37 > 27.3496161913053 > 1 > 1 > 0 > 1 > (2E,6E)-10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid > 2.68 > 2.537447455000001 > -3.11 > 0 > 0 > -1 > 5.121574839654542 > -7.027497316092136 > 63.60000000000001 > 66.686 > 8 > 1 > 1.87e-01 g/l > (2E,6E)-10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid > 0 > NP0016421 > (2E,6E)-10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid $$$$