HMDB0029978 RDKit 3D Avenoleic acid 53 52 0 0 0 0 0 0 0 0999 V2000 -6.5932 1.0003 1.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4272 1.8482 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1249 1.0949 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2471 -0.0187 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2732 -0.8583 0.4135 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 -0.7677 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9839 -1.8587 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2794 -1.9491 -2.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 -1.0349 -2.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9773 0.2139 -2.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 0.5377 -1.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4057 -0.2969 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9411 -0.6095 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3064 0.6480 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8315 0.4172 1.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9995 -0.4468 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3072 -0.1165 1.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4372 -0.1192 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8674 0.1874 -0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6866 0.3872 0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2274 0.2387 -1.6426 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3295 0.1968 2.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3244 1.6501 2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1008 0.5842 0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6401 2.2154 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3663 2.7140 1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3481 1.8123 0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8279 0.6857 1.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5719 0.4228 -0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8763 -1.4052 1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 -1.3497 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 -0.1643 -0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -2.7079 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 -2.8961 -2.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3432 -1.6430 -2.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -0.7589 -3.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7553 1.0117 -1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2968 1.5393 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 -1.1641 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2163 0.3827 -2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 -1.1038 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -1.2839 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9089 1.3163 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 1.2758 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 0.0763 2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0451 1.4682 2.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -0.6184 3.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 -1.5260 1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0826 -0.7803 2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5377 0.9538 1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2323 -1.1378 -0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8509 0.6329 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4634 1.1041 -2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 21 53 1 0 M END