HMDB0002020 RDKit 3D 3'-Hydroxy-e,e-caroten-3-one 96 97 0 0 0 0 0 0 0 0999 V2000 -13.7718 -0.2913 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4192 -0.5392 0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1476 -1.6707 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7357 -1.7237 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1195 -2.7855 -0.2341 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1956 -0.5504 -1.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8510 0.7121 -0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1202 0.8929 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0721 1.9629 -0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3662 0.4747 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3118 -0.2394 1.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0668 -0.2019 1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9915 -0.8654 2.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1070 -1.5995 3.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7995 -0.6851 1.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4977 -1.1958 1.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4515 -0.7913 1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 -1.1372 1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4635 -2.2029 2.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -0.4486 0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -0.6576 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 0.0997 -0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3669 -0.0287 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5412 -0.1316 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 -1.4319 1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9103 -0.3128 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7105 0.4314 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1387 0.1694 -0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0248 0.9085 -1.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 1.9507 -2.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4404 0.5505 -1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4721 1.1803 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 0.9451 -1.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1212 2.0594 -0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4705 3.3989 -0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9603 1.6614 0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6276 0.3535 1.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3105 0.2769 1.5918 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0199 -0.7421 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4999 -0.2275 -1.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9980 0.1782 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6167 -1.3691 -2.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0437 0.7962 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8310 -0.5092 2.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5290 -0.8655 0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7941 -2.4922 -0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1155 -0.5253 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5717 -0.6090 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2050 1.9784 -1.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0195 0.5114 -0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9427 0.4765 -2.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6026 2.7261 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0047 2.5457 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1011 1.8535 -1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6439 1.4039 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6293 -0.8139 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8513 0.5164 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1143 -2.0023 3.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8070 -2.4491 3.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4069 -0.8942 4.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8109 -0.0172 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3583 -1.9066 2.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7011 -0.0491 0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2592 -2.9599 2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -2.8296 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 -1.8999 3.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6261 0.2880 0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3079 -1.3547 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6103 0.8250 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 0.9439 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 -0.7195 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -1.7215 1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 -2.0329 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4751 -0.9998 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.1025 -1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5275 -0.5859 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9842 1.5838 -3.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3395 2.6152 -2.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8014 2.6326 -1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6549 -0.3371 -0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2142 2.0314 -2.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5032 1.3689 -2.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2289 3.5133 -2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6012 3.5013 -0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0184 4.1994 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0701 2.4457 1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 0.2156 2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9288 -0.6431 1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8676 -1.2982 0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2405 -1.4885 0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2477 -0.3014 0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6384 -0.2740 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0813 1.2491 -0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9682 -1.2338 -2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3701 -2.3531 -1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6413 -1.5344 -2.4312 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 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 10 2 1 0 40 33 1 0 1 43 1 0 1 44 1 0 1 45 1 0 3 46 1 0 6 47 1 0 6 48 1 0 8 49 1 0 8 50 1 0 8 51 1 0 9 52 1 0 9 53 1 0 9 54 1 0 10 55 1 0 11 56 1 0 12 57 1 0 14 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 16 62 1 0 17 63 1 0 19 64 1 0 19 65 1 0 19 66 1 0 20 67 1 0 21 68 1 0 22 69 1 0 23 70 1 0 25 71 1 0 25 72 1 0 25 73 1 0 26 74 1 0 27 75 1 0 28 76 1 0 30 77 1 0 30 78 1 0 30 79 1 0 31 80 1 0 32 81 1 0 33 82 1 0 35 83 1 0 35 84 1 0 35 85 1 0 36 86 1 0 37 87 1 0 38 88 1 0 39 89 1 0 39 90 1 0 41 91 1 0 41 92 1 0 41 93 1 0 42 94 1 0 42 95 1 0 42 96 1 0 M END