HMDB0032464 RDKit 3D Phenethyl decanoate 48 48 0 0 0 0 0 0 0 0999 V2000 -6.7565 1.6278 -1.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9202 0.7483 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6348 0.0296 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5135 0.9789 0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 0.3332 1.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6724 -0.5645 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3348 -1.1606 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8464 -2.0413 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 -2.7017 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 -1.7000 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5626 -0.9680 0.7424 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5597 -1.5402 -1.1912 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5808 -0.6057 -1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 -0.8009 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4402 0.2738 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 1.4938 0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1059 2.5095 0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 2.2787 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6274 1.0526 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6756 0.0707 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0089 2.4304 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7208 2.1551 -1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5533 1.0682 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6690 -0.0364 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3304 1.3267 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3693 -0.6454 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8174 -0.5688 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7476 1.6960 1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3169 1.6101 -0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2928 -0.2793 1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4662 1.1317 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3513 -1.4281 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5334 0.0142 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4328 -1.7523 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6151 -0.3345 0.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7774 -1.4168 -1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -2.8157 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3729 -3.4136 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 -3.3267 -1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 0.4524 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 -0.7399 -1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 -0.7865 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9202 -1.7993 0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2137 1.6510 1.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 3.4675 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0946 3.0472 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5923 0.8797 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8685 -0.9010 -0.8069 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 M END