HMDB0029859 RDKit 3D Methyl (xi)-3-nonenoate 30 29 0 0 0 0 0 0 0 0999 V2000 -3.8043 0.5938 1.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2253 0.1009 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 -0.3355 0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2272 -0.8321 -0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2372 -1.2748 -0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7358 -1.7389 -1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7265 -1.2963 -2.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 -0.2233 -1.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 0.5991 -0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 1.6570 -0.8067 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2366 0.3236 0.3893 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 1.1607 1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4776 1.4285 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2737 -0.2631 2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 0.9570 2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8136 -0.7353 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 0.9659 -0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1592 0.5189 1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7227 -1.1651 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2551 0.0350 -1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 -1.6876 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 -2.1569 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 -0.4480 0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 -2.6116 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9474 -1.8213 -3.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7046 -0.6650 -2.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6816 0.4446 -2.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0654 1.8008 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9295 0.6101 2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 1.8473 1.3490 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 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 M END