HMDB0032347 RDKit 3D Isobutyl 10-undecenoate 45 44 0 0 0 0 0 0 0 0999 V2000 5.9968 0.2508 -1.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -0.5410 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3886 -1.3150 -0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 -0.8438 -1.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9805 0.5391 -0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 0.6199 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0845 -0.2916 0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 -0.1844 1.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1095 1.2131 1.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0631 1.6932 0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 0.7488 0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 0.8977 1.8149 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4404 -0.2340 -0.0181 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 -1.1816 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8077 -0.7695 -0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4976 0.0816 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7797 0.0050 -1.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9437 0.8296 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4373 0.3557 -1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 -0.6250 0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 -2.4103 -0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8473 -1.3166 0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5794 -1.5373 -1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9163 -0.9369 -2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 0.8306 -1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 1.3300 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 1.6928 0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9141 0.3782 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 -0.0229 -0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 -1.3571 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -0.5261 2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -0.8783 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6601 1.9743 2.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 1.1952 2.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 1.7263 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3921 2.7376 1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4718 -1.9235 0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0662 -1.8441 -1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4515 -1.6833 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2947 1.1788 0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 -0.2710 1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6193 -0.0402 0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3553 -0.6839 -2.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8267 0.2601 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1456 0.8794 -1.6337 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 M END