HMDB0036170 RDKit 3D 2-Benzylidene-1-heptanol 35 35 0 0 0 0 0 0 0 0999 V2000 5.4141 1.6288 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0334 1.0811 -1.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 0.8644 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 0.3085 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 0.1056 0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3532 -0.4253 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3762 0.3581 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7398 -0.0509 0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2589 -1.2118 1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5664 -1.6035 1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3897 -0.7938 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9115 0.4065 -0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6026 0.7480 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5268 -1.7567 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 -1.7972 -1.3101 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0829 1.6170 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 0.9987 -0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3456 2.6837 -0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 1.8094 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1747 0.1612 -1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 1.7808 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6385 0.0398 0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3057 1.0818 -1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9382 -0.5836 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 1.0387 1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5564 -0.6529 1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1445 1.3395 1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6014 -1.8379 1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9536 -2.5228 1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4213 -1.0845 0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6063 0.9904 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2433 1.6843 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6075 -2.0008 -0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1595 -2.5810 0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 -1.8234 -2.0556 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 6 14 1 0 14 15 1 0 13 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 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 7 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 M END