HMDB0303973 RDKit 3D (3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al 62 62 0 0 0 0 0 0 0 0999 V2000 9.4187 -2.1977 -1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5391 -0.8278 -0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8328 -0.2619 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8987 -0.9038 -0.3548 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4308 -0.1326 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1127 -0.6607 -0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0457 0.0910 -0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 -0.4027 -0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 0.3088 -0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7293 1.6626 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3455 -0.2959 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1713 0.2889 -0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0854 -0.3479 -1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2439 0.2742 -1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1794 1.6525 -0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4315 -0.4192 -1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4328 -0.3038 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3804 -0.1279 0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2412 1.0106 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2317 1.5280 -1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8804 2.1548 1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6644 0.5965 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7519 -0.9294 0.4996 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0472 -1.3189 0.7367 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8816 -1.5086 1.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4158 -1.1014 1.3983 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9702 -0.5063 2.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6164 -2.2025 1.1883 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8560 -2.8484 -0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9057 -2.1269 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4069 -2.6623 -1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8911 0.7295 0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5498 0.8708 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0548 -1.6620 -1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2134 1.0961 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -1.3934 -1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 2.1970 -0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8587 2.3196 -0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0069 1.6431 1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -1.3082 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1406 1.2869 -0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0422 -1.3729 -1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 1.6552 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 2.1674 -0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4965 2.2978 -1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -1.0198 -2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2682 1.8058 -1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 0.8075 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5919 2.4293 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 2.1518 1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4863 2.1283 1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0738 3.1501 0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9147 0.9342 1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3525 0.9577 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3977 -1.2705 -0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3650 -1.8437 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2652 -1.2375 2.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9242 -2.6087 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6442 -1.3387 3.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1394 0.1941 2.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8596 -0.0459 3.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -2.0077 1.5482 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 2 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 26 28 1 6 26 18 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 10 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 15 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 23 55 1 6 24 56 1 0 25 57 1 0 25 58 1 0 27 59 1 0 27 60 1 0 27 61 1 0 28 62 1 0 M END