HMDB0037415 RDKit 3D Isomargaritene 74 78 0 0 0 0 0 0 0 0999 V2000 11.4072 -0.2954 1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7218 0.6160 0.4993 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3581 0.7110 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8488 1.6827 -0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4691 1.7895 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5899 0.9370 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1594 0.9816 -0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5572 1.9377 -1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 2.0074 -1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6633 2.9002 -1.9394 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3766 1.0698 -0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0182 1.0612 -0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3368 1.9664 -1.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2014 0.0952 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2658 0.1926 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 0.7664 -1.4344 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3257 0.2250 -2.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5665 1.0989 -2.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2008 2.3783 -2.9538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6382 -1.2209 -2.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -1.3741 -2.2133 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0622 -1.9492 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -2.4489 -1.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0694 -0.9879 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4334 -0.6232 0.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9656 -1.0033 1.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -1.8580 1.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -1.2025 0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0714 -2.2194 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7539 -0.2251 1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2319 0.8637 0.8303 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8181 0.2234 2.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1719 1.5487 2.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3821 0.2360 2.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1382 1.3915 1.4964 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 -0.8212 0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2336 -1.8132 1.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 -0.8017 0.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 0.1339 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 0.1119 0.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1281 -0.0331 0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4956 -0.1639 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8245 -0.8210 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3139 0.1739 1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8440 -1.0729 0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4816 2.3821 -1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0796 2.5719 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1309 2.6834 -1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5186 2.7257 -1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5728 1.0103 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8084 0.3467 -3.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0886 1.2939 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2527 0.6804 -3.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7712 2.6651 -3.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3218 -1.7993 -3.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2968 -2.2997 -2.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 -2.8519 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8601 -2.9097 -2.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 -1.5033 1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 -1.5168 2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7193 -0.6104 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4700 -1.8840 -0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8934 -2.2746 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5731 -3.2044 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6254 -0.7493 2.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9201 0.7958 -0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9549 -0.3875 3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 2.0176 2.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7691 0.3104 3.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6094 2.0689 2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6676 -2.5045 1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7825 -1.5343 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4929 -0.7522 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8705 -0.9354 1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 14 36 2 0 36 37 1 0 36 38 1 0 38 39 2 0 39 40 1 0 6 41 1 0 41 42 2 0 42 3 1 0 40 7 1 0 39 11 1 0 24 15 1 0 34 26 1 0 1 43 1 0 1 44 1 0 1 45 1 0 4 46 1 0 5 47 1 0 8 48 1 0 13 49 1 0 15 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 20 55 1 0 21 56 1 0 22 57 1 0 23 58 1 0 24 59 1 0 26 60 1 0 28 61 1 0 29 62 1 0 29 63 1 0 29 64 1 0 30 65 1 0 31 66 1 0 32 67 1 0 33 68 1 0 34 69 1 0 35 70 1 0 37 71 1 0 38 72 1 0 41 73 1 0 42 74 1 0 M END