HMDB0034387 RDKit 3D trans-Geranylgeranylbixin 111110 0 0 0 0 0 0 0 0999 V2000 18.5515 0.7748 1.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1331 -0.4266 1.2473 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7214 -0.5563 1.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0296 0.4200 1.4269 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1845 -1.7304 0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9039 -1.7949 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0674 -0.6606 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6419 0.7315 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7306 -0.6583 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9632 -1.8558 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6823 -1.7959 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8491 -0.6917 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1455 0.5716 0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4942 -0.8722 -0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6645 0.1528 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7926 1.0723 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4786 2.3291 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1753 2.7840 0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9253 4.1533 0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 1.7872 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4908 0.9565 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6825 -0.1260 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4177 -0.1970 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9751 -1.6153 -1.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6238 0.9848 -0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 1.1461 -1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 0.0999 -1.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1262 -0.9930 -2.4124 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 0.2953 -1.9411 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6288 -0.7866 -2.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3001 -1.9563 -1.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0995 -2.6383 -0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5783 -3.8418 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5633 -2.2704 -0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7415 -1.9805 0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9314 -1.6214 1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1844 -1.4248 1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6275 -1.6051 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2285 -1.1232 2.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8618 0.2008 1.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5425 0.3479 0.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4857 1.5013 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7642 2.7024 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1208 1.4843 -1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2948 2.4340 -1.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0945 1.7217 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2030 1.1309 -0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0181 0.4172 0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6746 1.1551 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9116 1.5982 1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5679 0.9680 1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2623 0.7308 3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8599 -2.6089 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5564 -2.7292 -0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6454 0.6397 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1671 0.7686 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1643 1.5655 0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3213 0.3203 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5045 -2.8113 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2242 -2.8365 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1716 0.8811 1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3852 1.3957 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8841 0.4491 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2803 -1.8692 -0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5872 -0.7310 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0536 0.7816 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1471 3.0191 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2941 4.2423 1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2501 4.9247 0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 4.1850 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2118 2.7699 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 0.0273 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -1.1892 -0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0233 -1.7686 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5819 -2.3368 -0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -1.9454 -2.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0953 1.8892 -0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 2.1069 -1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -0.5206 -2.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 -1.0250 -3.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2431 -2.3078 -1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3534 -4.6331 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 -4.2220 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3599 -3.5477 0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8236 -1.5019 -1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1007 -3.1920 -0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8353 -1.3373 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4078 -2.9752 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8126 -1.4505 2.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9787 -2.2437 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9391 -0.6997 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5873 -2.2582 -0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7713 -1.1262 3.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0280 -1.9259 2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6312 0.4247 2.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1553 1.0566 2.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0890 -0.5294 0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6897 2.7567 0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2678 3.6226 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8285 2.8335 1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4904 1.6387 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5781 0.4563 -1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0041 3.3909 -0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8774 2.5722 -2.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7086 1.7133 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1809 -0.6488 0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4729 0.3765 1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0235 0.9226 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9529 2.2709 -2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6352 0.6087 -2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8533 0.9308 -2.5376 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 2 3 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 5 53 1 0 6 54 1 0 8 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 13 61 1 0 13 62 1 0 13 63 1 0 14 64 1 0 15 65 1 0 16 66 1 0 17 67 1 0 19 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 21 72 1 0 22 73 1 0 24 74 1 0 24 75 1 0 24 76 1 0 25 77 1 0 26 78 1 0 30 79 1 0 30 80 1 0 31 81 1 0 33 82 1 0 33 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 38 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 43 98 1 0 43 99 1 0 43100 1 0 44101 1 0 44102 1 0 45103 1 0 45104 1 0 46105 1 0 48106 1 0 48107 1 0 48108 1 0 49109 1 0 49110 1 0 49111 1 0 M END