HMDB0256922 RDKit 3D Pulchinenoside A 119125 0 0 0 0 0 0 0 0999 V2000 -4.4857 2.6464 -2.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3647 2.1579 -1.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 3.0513 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7506 0.7019 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2673 0.6070 -1.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6833 -0.4714 -0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3511 -1.2270 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2562 -2.1235 -1.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1068 -3.3772 -1.1844 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3088 -1.7711 -2.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3225 -1.9134 1.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1375 -1.8095 1.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1582 -0.7146 1.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7183 0.5113 2.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0793 -0.2556 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2438 -1.0962 -0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5696 -2.2423 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 -1.9081 1.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4647 -1.5241 1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 -2.1161 2.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1685 -2.1359 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 -1.7367 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6746 -0.2840 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 0.2151 -0.6688 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1673 0.3179 -1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.6351 -2.4989 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8228 1.5738 -3.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7687 0.2420 -4.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 0.3363 -5.7877 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5895 -0.7533 -3.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.7795 -4.2676 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5794 -0.2531 -2.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 0.6401 -1.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4442 0.4369 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0339 1.3691 0.0349 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 1.3659 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6411 0.1748 2.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2582 1.7023 0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9618 1.6692 2.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7701 0.7605 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9766 -0.5230 0.2649 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8325 0.8694 -1.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7873 2.2149 -1.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 0.5771 0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 1.2847 1.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3898 1.7744 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3255 1.3837 -1.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3525 -0.0458 1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7086 0.4528 2.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1998 0.2693 2.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7623 -1.0429 2.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0227 -1.7855 3.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4759 -0.0387 -0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0232 2.0298 -2.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1679 3.6770 -2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1772 3.4095 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3321 3.9513 -0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 2.5103 0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3541 0.2623 -2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7118 1.5477 -1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6188 0.3470 -2.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4128 -1.1310 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9636 -0.0454 0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1881 -1.9140 -3.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3056 -1.6583 1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4782 -3.0151 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6463 -2.8161 2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5870 -1.6380 2.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8232 0.3580 2.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 1.4479 1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2935 0.6946 3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6069 0.7668 0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5443 -0.5266 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 -1.5734 -1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8664 -2.6771 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 -3.0694 0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8843 -2.9252 1.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1871 -1.5325 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -3.1717 2.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 -2.2774 3.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1564 -1.7001 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 -3.2429 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1305 -2.3757 -0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 -1.9680 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1573 -0.3758 -1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 -0.1098 -2.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 2.3386 -4.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 1.8997 -3.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6922 -0.1040 -4.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2517 0.3334 -5.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0744 -1.7380 -3.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5113 -1.0089 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -1.1360 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3789 -0.5212 -0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4356 2.2621 1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4039 -0.6163 1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6065 -0.2013 1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7075 0.5258 3.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2747 2.7183 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2905 2.5955 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7637 1.1685 -0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9381 -0.7297 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2739 0.2569 -2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0386 2.6228 -1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2469 2.2825 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 0.7450 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 1.5575 1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3069 2.3075 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 2.4853 0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 1.6881 -2.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 0.2650 0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 1.5340 2.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 -0.1562 3.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6572 1.1424 2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 0.4667 3.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0439 -2.8799 3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9556 -1.5069 4.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -1.4781 4.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9436 0.6098 0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 23 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 44 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 15 53 1 0 53 4 1 0 53 7 1 0 51 13 1 0 51 18 1 0 48 19 1 0 32 25 1 0 42 34 1 0 1 54 1 0 1 55 1 0 3 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 14 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 17 76 1 0 18 77 1 0 20 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 23 85 1 0 25 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 29 90 1 0 30 91 1 0 31 92 1 0 32 93 1 0 34 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 40101 1 0 41102 1 0 42103 1 0 43104 1 0 45105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 48111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 52116 1 0 52117 1 0 52118 1 0 53119 1 0 M END