HMDB0006927 RDKit 3D 4a-Methylzymosterol-4-carboxylic acid 78 81 0 0 0 0 0 0 0 0999 V2000 7.3561 0.2247 1.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8598 -0.7494 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7803 -1.8389 0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6299 -0.6225 0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 0.4480 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2359 1.3393 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4683 0.8225 -1.2942 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1917 2.0434 -2.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3309 -0.0611 -1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 -1.4212 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 -1.9572 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 -0.8349 -0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1205 -0.7404 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 0.4676 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9685 1.7373 -0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3213 1.4994 -1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 0.3975 -0.5077 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1524 0.4667 0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0524 0.4530 0.4749 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9691 0.0051 1.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6742 1.8025 0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6587 1.9657 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7780 0.9851 -0.3744 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2240 1.3809 0.9066 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2871 -0.4360 -0.3207 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9447 -1.0891 0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8492 -1.0947 -1.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1083 -1.5900 -2.4488 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 -1.1676 -1.7345 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -0.5410 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2991 -1.9434 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8253 -1.9927 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3744 1.2323 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4023 -0.0020 2.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6985 0.2992 2.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5103 -1.3820 -0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3664 -2.2611 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 -2.6462 0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3117 -1.3486 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 0.0880 1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3435 1.1379 1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 2.2725 0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1952 1.7795 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2505 0.2575 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 1.8340 -2.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0883 2.2091 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 2.9678 -1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -0.3101 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 -2.1171 -1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9082 -1.4858 0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 -2.8271 -1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8496 -2.3278 0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1387 -0.8380 -1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6721 2.3099 -1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7272 2.3443 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 1.2345 -2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8261 2.4734 -1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4849 -0.4775 1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8953 1.2398 1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2141 0.7382 1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9095 -0.0437 2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4495 0.7531 2.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4499 -0.9462 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9861 2.6472 0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3129 1.9487 1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0825 2.9703 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2101 1.7952 -1.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6525 1.1237 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2029 1.3126 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0574 -0.9806 0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7742 -2.1511 0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7695 -0.4725 1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6048 -1.9989 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5182 -0.2571 -1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -2.5383 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8126 -2.5108 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3434 -2.8312 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 -2.1732 1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 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 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 1 14 19 1 0 19 20 1 1 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 6 27 28 2 0 27 29 1 0 25 30 1 0 30 31 1 0 31 32 1 0 17 9 1 0 30 19 1 0 17 12 1 0 32 13 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 7 44 1 6 8 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 15 54 1 0 15 55 1 0 16 56 1 0 16 57 1 0 18 58 1 0 18 59 1 0 18 60 1 0 20 61 1 0 20 62 1 0 20 63 1 0 21 64 1 0 21 65 1 0 22 66 1 0 22 67 1 0 23 68 1 6 24 69 1 0 26 70 1 0 26 71 1 0 26 72 1 0 29 73 1 0 30 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 M END