HMDB0036424 RDKit 3D Allyl undecylenate 40 39 0 0 0 0 0 0 0 0999 V2000 -4.5192 2.2601 1.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5883 0.9494 1.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9654 0.1382 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 1.0368 -0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6989 0.4221 -1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4579 -0.3512 -1.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -1.5602 -0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.2634 -0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 -1.3290 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -1.9488 -0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4637 -1.0222 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -1.2543 1.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7678 0.1302 -0.5954 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7491 1.0577 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 1.5818 1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4281 1.3876 2.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9662 2.8235 2.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0372 2.8259 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0813 0.4050 2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3178 -0.6185 0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8243 -0.4466 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 1.8369 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5969 1.6730 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4799 -0.2174 -2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5359 1.2842 -2.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -0.5797 -2.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6666 0.3974 -1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 -1.2697 0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1595 -2.3223 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -3.1632 -0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1053 -2.5615 -1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8411 -0.9300 0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 -0.4667 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4521 -2.8566 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6621 -2.2332 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7389 1.8753 -0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 0.5765 -0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6199 2.1219 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2755 1.7673 3.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3493 0.8437 1.9185 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 2 3 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 M END