HMDB0032368 RDKit 3D Menthyl pyrrolidone carboxylate 52 53 0 0 0 0 0 0 0 0999 V2000 -2.7275 2.6971 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 1.6607 0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3361 1.5272 1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 0.3406 -0.2146 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2970 -0.1229 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8475 -1.2982 -0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8069 -2.3915 -0.1898 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2365 -3.6402 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -1.9793 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9501 -0.6876 -0.1536 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0851 -0.2638 -0.9535 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 -0.0753 -0.3324 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8087 1.1714 -0.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8719 1.4218 0.3414 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4239 2.7799 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4855 3.1416 0.7989 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 0.3302 0.2692 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8430 -0.5317 1.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6541 -0.4902 -0.9688 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7353 0.3451 -2.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.1109 -0.9154 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3434 -2.2244 -0.0903 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2551 3.6982 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3465 2.4403 -0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 2.7822 1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7472 2.0242 -0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 1.1430 2.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 2.5454 2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4383 0.8871 2.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 0.5306 -1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0184 0.6917 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -0.4709 1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 -1.0453 -1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7612 -1.6720 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 -2.6407 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9846 -3.4649 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3283 -3.8231 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6465 -4.5002 -0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7795 -2.8106 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 -1.8097 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6641 -0.8071 0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2948 -0.2747 0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 1.4770 1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6765 2.8630 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 3.5117 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 2.4325 1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9113 0.7800 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5074 -1.2503 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 -1.2881 -1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5779 0.8501 -2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 -1.4020 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9779 -1.9969 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 10 4 1 0 21 12 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 4 30 1 6 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 1 8 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 1 12 42 1 1 14 43 1 1 15 44 1 0 15 45 1 0 16 46 1 0 17 47 1 6 18 48 1 0 19 49 1 6 20 50 1 0 21 51 1 6 22 52 1 0 M END