HMDB0029763 RDKit 3D Allyl nonanoate 36 35 0 0 0 0 0 0 0 0999 V2000 -6.7111 -0.3979 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6256 -0.9542 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7074 -0.1760 1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -0.0695 0.5093 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0991 0.5067 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0637 0.9737 -1.3801 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7006 0.5895 -1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 -0.0405 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6532 -0.0073 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 -0.6531 0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9336 -0.6882 0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5418 0.6598 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0243 0.4660 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 -0.2623 0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9362 0.6289 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3846 -0.9520 -0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4205 -1.9991 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6417 -0.7166 2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1829 0.7953 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4227 1.6372 -1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 0.0378 -2.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 -1.1018 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9719 0.4450 0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 1.0712 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7349 -0.5160 -1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3092 -0.0919 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 -1.6876 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0936 -1.2608 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 -1.2242 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4803 1.2820 0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 1.1997 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5537 1.4107 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1388 -0.2257 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5618 -1.3574 0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3532 0.1220 1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7768 -0.0586 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 M END