HMDB0040617 RDKit 3D Helianthoside B 177186 0 0 0 0 0 0 0 0999 V2000 11.5963 -1.1219 2.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9624 -0.6172 0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 -0.3260 0.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -1.0112 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5495 -0.6355 0.9797 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5785 0.1156 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -0.7941 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0659 -0.1473 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9322 0.9350 1.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2071 0.2262 2.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 1.9517 1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5809 2.5431 -0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 2.8868 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 2.6863 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4024 3.9405 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5469 1.4369 1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8808 1.5669 2.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4154 1.6189 2.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0742 2.1083 1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 2.0838 1.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 3.1805 1.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2494 4.0036 1.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 3.5394 1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2003 5.4322 1.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 4.0505 -0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5294 2.8547 -1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9348 1.7832 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9997 0.7109 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4186 0.3188 0.8654 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5165 0.1632 -1.3855 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5379 -0.8509 -1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0039 -1.9995 -1.8061 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8001 -2.7854 -2.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3257 -2.0316 -3.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6268 -2.4773 -4.0477 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3983 -0.5461 -3.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2319 0.1422 -4.3759 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7730 -0.3986 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7970 -1.2513 -1.7669 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9461 -0.6378 -1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9921 -0.9522 -2.1442 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2431 -0.5856 -1.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2422 -0.9567 -2.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5252 -1.3817 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8299 -1.3816 -0.0102 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4550 -2.5819 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8409 -2.7966 1.4895 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6646 -1.7787 1.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0230 -2.1221 3.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8612 -2.1902 4.1176 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9706 -1.6758 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7538 -2.8174 1.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6642 -1.4813 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8295 -1.6115 -0.9962 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7235 -2.5910 -0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3922 -3.8126 -0.5856 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5617 -0.8647 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6255 0.5256 0.7563 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1643 -1.1788 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1970 -0.6262 0.9491 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7641 1.0914 -0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1845 0.7832 -2.2168 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5348 1.8040 -0.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8003 2.6610 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4842 4.0714 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 1.4517 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0418 1.4782 2.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1172 2.5155 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0473 -2.4443 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1008 -3.3662 0.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2146 -2.6275 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6511 -3.9408 -0.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2987 -1.6265 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4591 -2.3109 0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5265 -2.0877 -0.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5311 -1.4476 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6015 -1.0423 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3576 -2.2947 -1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7863 -2.9190 -0.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3990 -3.1353 -2.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2087 -2.4529 -3.2787 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1059 -3.3782 -1.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3990 -4.1635 -0.2415 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9685 -2.1623 1.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8148 -1.2107 2.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -0.4373 2.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5063 0.3548 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7434 -0.6582 -0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8024 0.3400 -0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4307 -1.4430 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -1.5452 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3022 -0.9175 0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7193 0.2383 -0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 -0.2358 2.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 0.7943 3.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -0.6705 2.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0086 2.8214 1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1946 3.4734 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9643 1.8215 -1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0293 3.9794 -0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8157 2.3682 -1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9881 3.7914 2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 4.3415 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9813 4.7472 1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 0.6301 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0117 0.5626 3.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2309 2.2946 3.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2659 1.2211 3.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 1.1312 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 3.8524 2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9152 2.7514 2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3383 4.3881 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8195 3.4502 2.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9321 2.6410 0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3476 5.9359 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1299 5.4611 2.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1089 5.9408 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 4.3693 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4041 4.9300 -0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3609 2.4537 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7618 3.1181 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7667 -1.0259 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -3.5945 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6092 -3.2971 -2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7414 -2.2713 -4.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2863 -1.7543 -4.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3665 -0.1495 -3.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1045 0.2763 -3.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0175 0.6666 -1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7741 0.4513 -1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2867 0.5221 -1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3255 -2.0670 -2.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2134 -0.4485 -2.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7858 -0.6888 -3.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2153 -2.4294 -0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8818 -3.4706 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1254 -0.8360 1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7525 -1.3878 3.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5366 -3.1133 3.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0367 -1.8144 5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4936 -0.7708 1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5847 -2.6402 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2317 -0.4953 -0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8184 -2.3383 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4796 -2.4447 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8439 -4.3990 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6584 -1.3972 1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7844 0.7027 1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0692 -2.2818 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4401 -0.8810 1.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 0.1088 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6935 -0.0048 -2.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 1.0424 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 2.4350 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3771 4.4327 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 4.7971 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2028 4.1644 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4951 0.4656 2.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3601 1.8222 3.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9173 2.1639 2.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2133 2.3908 0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8817 3.4893 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9029 2.4445 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4681 -2.6922 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0523 -3.5979 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7826 -2.5459 -1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0073 -4.2272 -1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -1.0739 -1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2609 -1.4083 -1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3739 -0.3823 -1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2737 -0.4599 -0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2153 -1.9935 -1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4146 -3.6518 -0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9283 -4.1146 -2.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4045 -2.7608 -3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4197 -3.9089 -2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0335 -4.8845 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 48 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 44 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 27 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 64 65 1 0 11 66 1 0 66 67 1 0 66 68 1 0 4 69 1 0 69 70 1 0 69 71 1 0 71 72 1 0 71 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 77 78 1 0 78 79 1 0 78 80 1 0 80 81 1 0 80 82 1 0 82 83 1 0 73 2 1 0 82 75 1 0 66 6 1 0 16 9 1 0 64 19 1 0 64 14 1 0 27 20 1 0 38 31 1 0 59 40 1 0 55 46 1 0 1 84 1 0 1 85 1 0 1 86 1 0 2 87 1 0 4 88 1 0 6 89 1 0 7 90 1 0 7 91 1 0 8 92 1 0 8 93 1 0 10 94 1 0 10 95 1 0 10 96 1 0 11 97 1 0 12 98 1 0 12 99 1 0 13100 1 0 13101 1 0 15102 1 0 15103 1 0 15104 1 0 16105 1 0 17106 1 0 17107 1 0 18108 1 0 20109 1 0 21110 1 0 21111 1 0 23112 1 0 23113 1 0 23114 1 0 24115 1 0 24116 1 0 24117 1 0 25118 1 0 25119 1 0 26120 1 0 26121 1 0 31122 1 0 33123 1 0 33124 1 0 34125 1 0 35126 1 0 36127 1 0 37128 1 0 38129 1 0 40130 1 0 42131 1 0 43132 1 0 43133 1 0 43134 1 0 44135 1 0 46136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 51141 1 0 52142 1 0 53143 1 0 54144 1 0 55145 1 0 56146 1 0 57147 1 0 58148 1 0 59149 1 0 60150 1 0 61151 1 0 62152 1 0 63153 1 0 63154 1 0 65155 1 0 65156 1 0 65157 1 0 67158 1 0 67159 1 0 67160 1 0 68161 1 0 68162 1 0 68163 1 0 69164 1 0 70165 1 0 71166 1 0 72167 1 0 73168 1 0 75169 1 0 77170 1 0 77171 1 0 78172 1 0 79173 1 0 80174 1 0 81175 1 0 82176 1 0 83177 1 0 M END