HMDB0036883 RDKit 3D Citranaxanthin 78 78 0 0 0 0 0 0 0 0999 V2000 12.6283 4.1841 3.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2405 3.7578 3.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2418 4.1609 3.8122 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0345 2.8445 2.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7958 2.4594 1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3794 1.6113 0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 0.9679 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 1.3649 0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4453 0.5199 -0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1294 0.4036 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2891 -0.3722 -1.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8384 -1.1733 -2.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9747 -0.3740 -1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0147 -1.0960 -1.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 -0.9906 -1.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6304 -1.6384 -2.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 -1.4552 -1.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7408 -0.6169 -0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7711 -2.0348 -2.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -1.8883 -1.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1858 -2.4672 -2.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3916 -2.2941 -2.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5927 -2.9031 -2.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6126 -1.5167 -0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7887 -1.3042 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1422 -0.5615 0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4663 -0.5576 1.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4080 -1.3052 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9765 0.1511 2.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3043 1.4486 2.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9822 1.5884 1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3152 0.2091 1.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2324 -0.4222 3.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9157 0.5490 1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9294 5.1635 3.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3581 3.3846 3.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7342 4.2050 4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8128 2.4332 1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9912 2.9205 2.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9306 1.2408 -1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2572 -0.1353 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3100 1.3370 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4340 1.8748 1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9486 -0.0213 -1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6382 0.9682 0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1924 -1.0485 -3.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8681 -0.9284 -2.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7931 -2.2715 -2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6431 0.2545 -0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 -1.6842 -2.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5283 -0.3686 -0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7938 -2.2386 -3.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -0.6346 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0736 -1.1218 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3177 0.4116 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 -2.6338 -3.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0868 -1.2800 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0859 -3.0763 -3.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9275 -3.8192 -2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3669 -2.1198 -2.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2585 -3.1190 -3.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7764 -1.1105 -0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5997 -1.8009 -0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4569 -1.1537 0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1444 -2.3690 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3996 -0.8710 -0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9820 -0.5626 3.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0896 0.3186 2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1807 1.6234 3.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9952 2.2743 2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3036 2.1717 2.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0749 2.0646 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7384 -1.4210 3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7513 0.2076 3.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1669 -0.5161 3.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1576 -0.2120 1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6084 1.4201 2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8407 0.9948 0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 26 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 5 39 1 0 7 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 9 44 1 0 10 45 1 0 12 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 14 50 1 0 15 51 1 0 16 52 1 0 18 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 20 57 1 0 21 58 1 0 23 59 1 0 23 60 1 0 23 61 1 0 24 62 1 0 25 63 1 0 28 64 1 0 28 65 1 0 28 66 1 0 29 67 1 0 29 68 1 0 30 69 1 0 30 70 1 0 31 71 1 0 31 72 1 0 33 73 1 0 33 74 1 0 33 75 1 0 34 76 1 0 34 77 1 0 34 78 1 0 M END