HMDB0033844 RDKit 3D beta-Cryptoxanthin 97 98 0 0 0 0 0 0 0 0999 V2000 -12.1247 -1.5699 -1.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5262 -0.8528 -0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5982 -0.3120 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2207 -0.4363 -0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1886 0.0143 0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8442 -0.2039 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6745 -0.8869 -1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8228 0.2731 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 0.0990 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4287 0.5750 0.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0464 0.4078 0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7661 -0.3013 -1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 0.9015 0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 0.8228 0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 1.2242 1.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 0.9375 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8495 1.3673 1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 2.1494 2.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0799 0.8980 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3192 1.1612 1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4508 0.5941 0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7186 0.7141 0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1163 1.5165 1.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 0.0613 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0366 0.1952 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1453 -0.3872 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3741 -0.1098 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 0.7627 1.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6045 -0.6379 -0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5012 -0.4662 -2.0892 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5835 -1.1624 -2.6933 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2587 -1.0193 -2.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1220 -1.2507 -1.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8925 -1.3305 -2.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2771 -2.6965 -1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9169 0.4114 1.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3135 1.7791 1.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3871 -0.4208 2.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4267 0.6417 1.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2351 -0.5459 1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9725 -0.8956 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0361 -2.0028 -2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4630 -2.4219 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5873 -0.8952 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0425 -0.9670 -1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2537 0.5228 1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6835 -1.2656 -1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0129 -0.2072 -2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3722 -1.7728 -1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9968 0.8038 1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2207 -0.4371 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 1.1235 1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 -0.0811 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8419 0.1435 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 -1.3721 -0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4099 1.4557 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4222 0.1131 -0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 1.8672 2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8244 0.3577 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 3.2122 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 2.2105 3.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 1.6177 3.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 0.2489 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3639 1.8167 1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 -0.0221 -0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2478 1.8095 2.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7565 2.4046 1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7723 0.9038 2.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4192 -0.5031 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2222 0.8439 1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9753 0.2830 2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9988 1.7594 1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5487 0.8828 1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4847 0.0119 -0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8920 -1.6568 -0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6428 0.6169 -2.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3440 -0.5371 -2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8865 -0.3614 -3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4177 -2.0264 -3.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5310 -0.3649 -2.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2990 -1.8146 -3.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1307 -2.0582 -2.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7733 -2.6949 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2710 -3.1550 -0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8565 -3.2736 -1.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6137 2.0183 2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8194 1.9274 0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1325 2.5713 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0771 0.1232 3.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5649 -1.1311 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2007 -1.1645 2.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7116 1.5495 1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6000 0.7633 2.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0632 -1.3569 1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3117 -0.2191 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3040 -1.9655 -0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5316 -0.2556 -0.9723 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 41 2 1 0 33 26 1 0 1 42 1 0 1 43 1 0 1 44 1 0 4 45 1 0 5 46 1 0 7 47 1 0 7 48 1 0 7 49 1 0 8 50 1 0 9 51 1 0 10 52 1 0 12 53 1 0 12 54 1 0 12 55 1 0 13 56 1 0 14 57 1 0 15 58 1 0 16 59 1 0 18 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 20 64 1 0 21 65 1 0 23 66 1 0 23 67 1 0 23 68 1 0 24 69 1 0 25 70 1 0 28 71 1 0 28 72 1 0 28 73 1 0 29 74 1 0 29 75 1 0 30 76 1 1 31 77 1 0 32 78 1 0 32 79 1 0 34 80 1 0 34 81 1 0 34 82 1 0 35 83 1 0 35 84 1 0 35 85 1 0 37 86 1 0 37 87 1 0 37 88 1 0 38 89 1 0 38 90 1 0 38 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 41 96 1 0 41 97 1 0 M END