HMDB0040162 RDKit 3D (3S,3'S)-beta,beta-Carotene-3,3'-diol 98 99 0 0 0 0 0 0 0 0999 V2000 12.5234 2.2013 1.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7025 1.0663 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6404 0.4522 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3200 0.9384 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1785 0.4403 0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8521 0.9460 0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6432 2.0590 1.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7714 0.3550 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4448 0.8205 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3424 0.2678 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9855 0.6472 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 1.7572 1.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9954 -0.0181 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6158 0.3329 0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -0.3492 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 0.0156 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7979 -0.6001 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6212 -1.7288 -1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1777 -0.1576 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2448 -0.7650 -0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5615 -0.2771 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7108 -0.7807 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7456 -1.9217 -1.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9882 -0.1894 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1126 -0.7160 -0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4300 -0.2607 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4447 -0.9790 -0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1169 -2.1023 -1.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8387 -0.6028 -0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1318 -0.3245 0.7780 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.2136 0.5467 0.8401 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9395 0.1892 1.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8989 0.7879 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5531 1.9372 -0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8975 1.4230 1.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7453 -0.6833 -0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0930 -0.3358 -2.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1230 -1.9386 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1775 -1.0232 -1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0312 -0.8547 0.2192 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2898 -1.3881 0.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0973 0.6651 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9669 3.0358 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4617 2.5420 2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9077 1.7970 2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2436 1.7770 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2351 -0.3998 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5247 2.4919 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0179 2.8184 1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9756 1.7263 2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8955 -0.4721 -0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3424 1.6474 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 -0.5740 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 1.3635 2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5372 2.0839 1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2657 2.6181 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1892 -0.8352 -0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 1.1344 0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -1.1434 -1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9524 0.8401 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -1.5421 -2.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9438 -2.6905 -1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 -1.7911 -2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3322 0.6732 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0755 -1.5970 -1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6389 0.5758 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3753 -1.7290 -2.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7561 -2.1922 -2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 -2.8499 -1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9359 0.6547 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9964 -1.5956 -1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0537 -2.5497 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5257 -1.7682 -2.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5505 -2.8793 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4557 -1.5128 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2368 0.1814 -1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4652 -1.2571 1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5361 0.5402 1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4134 -0.5715 2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2070 1.0181 2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5799 2.0470 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4639 1.7775 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0336 2.8937 -0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3365 0.7378 2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3455 2.2516 0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5195 2.0074 2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3989 -1.1253 -2.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8614 -0.2712 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6462 0.6858 -2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6800 -1.7416 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9062 -2.7280 0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 -2.4428 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2053 -2.1188 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5800 -0.4140 -1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4850 -1.2619 1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5749 -1.7186 0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7804 0.8944 1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3967 1.1059 -0.5131 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 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 30 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 3 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 2 1 0 33 26 1 0 1 43 1 0 1 44 1 0 1 45 1 0 4 46 1 0 5 47 1 0 7 48 1 0 7 49 1 0 7 50 1 0 8 51 1 0 9 52 1 0 10 53 1 0 12 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 14 58 1 0 15 59 1 0 16 60 1 0 18 61 1 0 18 62 1 0 18 63 1 0 19 64 1 0 20 65 1 0 21 66 1 0 23 67 1 0 23 68 1 0 23 69 1 0 24 70 1 0 25 71 1 0 28 72 1 0 28 73 1 0 28 74 1 0 29 75 1 0 29 76 1 0 30 77 1 1 31 78 1 0 32 79 1 0 32 80 1 0 34 81 1 0 34 82 1 0 34 83 1 0 35 84 1 0 35 85 1 0 35 86 1 0 37 87 1 0 37 88 1 0 37 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 1 41 96 1 0 42 97 1 0 42 98 1 0 M END