HMDB0036590 RDKit 3D Capsanthin 99100 0 0 0 0 0 0 0 0999 V2000 12.1469 1.0838 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5870 0.7950 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3040 0.3502 1.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6447 0.2217 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4053 -0.1245 -0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0018 -0.1678 -1.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0532 0.1060 -2.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7882 -0.4317 -2.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7288 -0.7279 -1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4817 -0.8666 -1.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -1.1717 -0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7442 -1.4432 0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1677 -1.1939 -1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 -1.5001 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2206 -1.3431 -0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3527 -1.6900 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5986 -1.4162 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7682 -0.7867 -1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 -1.8761 0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9832 -1.6224 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0667 -2.0814 1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3415 -1.7341 0.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3456 -2.3416 1.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6515 -0.7156 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8627 -0.2738 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0541 0.7787 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9468 1.1591 -1.8153 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2491 1.4262 -1.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7759 2.6794 -2.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9778 0.5871 -2.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3568 0.3336 -2.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6563 -1.0545 -2.2932 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5113 0.9440 -0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2942 1.8110 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8154 3.2496 -0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9059 1.6961 0.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7987 0.1055 2.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 1.3718 3.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7490 -0.9888 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8684 -0.4126 3.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1869 0.2329 3.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4984 0.9411 4.6306 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3780 1.1307 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2335 0.1894 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1829 1.4854 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5481 1.9000 -0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2475 0.4414 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7715 -0.3361 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1416 1.1728 -3.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9761 -0.4450 -2.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6104 -0.3974 -3.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5573 -0.4397 -3.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0006 -0.8279 -0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3134 -0.7487 -2.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6999 -0.4159 1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7049 -1.9232 0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9251 -2.0144 1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 -0.9443 -2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0887 -1.8539 0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3268 -0.9802 -1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2228 -2.1409 1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -1.4659 -2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 -0.1582 -1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9883 -0.0236 -1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4725 -2.4859 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1842 -0.9681 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 -2.8145 1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3053 -2.4278 1.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9591 -3.3814 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3436 -1.6724 2.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8228 -0.2125 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6883 -0.6949 0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1627 3.6027 -2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1855 2.6098 -3.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6670 2.7060 -2.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4779 -0.3715 -3.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0298 1.1280 -3.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0987 0.8112 -3.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3808 -1.4447 -3.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4526 1.5948 -1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6792 0.2127 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7975 3.2332 -0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0947 3.4661 -1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1735 3.9955 -0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3367 2.5488 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8278 1.6376 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3746 0.7834 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3760 2.2265 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5265 1.5302 4.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 1.2258 3.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8609 -1.5721 3.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7069 -0.5911 2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8570 -1.7675 1.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4348 -0.2471 4.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9252 -1.5133 3.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9789 -0.5599 3.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5294 0.3073 5.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1323 2.1974 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4615 1.2485 1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 3 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 2 1 0 34 28 1 0 1 44 1 0 1 45 1 0 1 46 1 0 4 47 1 0 5 48 1 0 7 49 1 0 7 50 1 0 7 51 1 0 8 52 1 0 9 53 1 0 10 54 1 0 12 55 1 0 12 56 1 0 12 57 1 0 13 58 1 0 14 59 1 0 15 60 1 0 16 61 1 0 18 62 1 0 18 63 1 0 18 64 1 0 19 65 1 0 20 66 1 0 21 67 1 0 23 68 1 0 23 69 1 0 23 70 1 0 24 71 1 0 25 72 1 0 29 73 1 0 29 74 1 0 29 75 1 0 30 76 1 0 30 77 1 0 31 78 1 0 32 79 1 0 33 80 1 0 33 81 1 0 35 82 1 0 35 83 1 0 35 84 1 0 36 85 1 0 36 86 1 0 36 87 1 0 38 88 1 0 38 89 1 0 38 90 1 0 39 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 41 96 1 0 42 97 1 0 43 98 1 0 43 99 1 0 M END