HMDB0036426 RDKit 3D Butyl undecylenate 45 44 0 0 0 0 0 0 0 0999 V2000 6.0364 -0.7789 -1.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2421 -0.3807 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9322 0.8944 0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1728 1.9007 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 1.5633 -0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8709 1.2566 0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.9177 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 -0.2821 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 -0.5386 -1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9291 -0.7827 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -1.0498 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8198 -1.0694 -1.3125 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2065 -1.2892 0.9119 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 -1.5565 0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 -0.4275 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7971 -0.8861 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6646 0.1715 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5873 -0.2266 -2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3543 -1.8061 -1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -1.1183 0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 1.3727 0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4932 0.7423 1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1393 2.8333 0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7434 2.1902 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 2.5113 -1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 0.8051 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2663 0.3611 1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 2.0700 1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9338 1.7951 -0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 0.6632 1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 -1.1933 -0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9721 -0.2302 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -1.4910 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4893 0.2636 -1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 0.1405 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 -1.6288 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9749 -1.6692 1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 -2.5052 0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9763 -0.2675 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3186 0.4830 0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1420 -1.1615 1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7993 -1.8132 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9961 0.9072 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3574 -0.3206 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2785 0.6303 0.2307 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 16 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 15 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