HMDB0031977 RDKit 3D Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate 61 60 0 0 0 0 0 0 0 0999 V2000 -10.3782 -2.9092 0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1545 -1.5239 0.9865 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9426 -0.9088 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9515 -1.6195 0.7009 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8512 0.5535 0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 1.0700 0.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4391 2.5619 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5459 3.4476 1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2345 2.6236 0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9463 2.7057 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0722 1.6257 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6938 1.8023 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2818 0.0522 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 1.9231 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2034 2.0833 -0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6507 0.9983 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0537 1.0948 -0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 0.0064 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -1.1132 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2109 0.1501 -0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1536 -0.9126 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4882 -0.4691 -0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4534 -1.3625 -0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9596 -2.4582 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8323 -1.2492 -1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7517 -2.0820 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1277 -2.1730 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7020 -1.1656 -1.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9465 -2.9508 -0.5326 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3387 -3.4079 1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6385 -3.3230 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3573 -3.0936 0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7179 1.1306 1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8548 0.4251 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2309 4.4957 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8375 3.1444 2.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4757 3.3296 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 4.0425 0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4459 3.5715 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5674 0.7014 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2318 -0.2023 0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1231 -0.1667 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 0.3074 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8146 3.3056 -0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3348 2.9584 -1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1994 0.0960 -0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5267 1.9409 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5936 -1.8109 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8675 -1.7261 0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 -0.8220 0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 0.9217 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6461 -1.4323 0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7111 0.3337 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7162 -2.9843 0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2556 -2.0164 1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3199 -3.1422 -0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1051 -0.4670 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3915 -2.8455 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7784 -1.7722 -2.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6922 -0.9399 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9975 -0.3532 -2.0706 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 1 0 27 29 2 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 0 6 34 1 0 8 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 13 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 16 46 1 0 17 47 1 0 19 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 21 52 1 0 22 53 1 0 24 54 1 0 24 55 1 0 24 56 1 0 25 57 1 0 26 58 1 0 28 59 1 0 28 60 1 0 28 61 1 0 M END