HMDB0035106 RDKit 3D Pomolic acid 82 86 0 0 0 0 0 0 0 0999 V2000 5.7815 2.2117 -1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1975 1.0524 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4505 -0.1720 -1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9041 -1.4287 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 -1.2026 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 -1.3478 1.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 -2.1388 2.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 -0.6902 2.3923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6737 -2.4332 -0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 -2.1896 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -1.1259 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 -1.6142 -2.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 0.1010 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 1.2404 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5928 1.3914 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3112 0.2744 -0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7801 0.4491 -0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5459 -0.1646 -1.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0788 1.9609 -0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5405 2.2500 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1354 1.5756 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5187 1.4239 0.4355 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6239 0.2121 1.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7233 0.0909 2.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4772 -0.8655 0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1477 0.0888 0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5686 -1.1553 1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 -1.2527 1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -1.0547 -0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3923 -2.2095 -1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9844 0.0317 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6968 1.2687 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4752 1.8498 1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 2.3317 -0.9057 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7156 1.8314 -1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 3.1012 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 2.3921 -1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 1.1377 0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1138 0.0308 -2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5589 -0.2844 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5919 -1.9771 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7107 -2.1201 -1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7224 -1.0381 2.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 -2.5670 -1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1718 -3.2900 0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -3.1051 0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -1.7244 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 -2.6872 -2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8723 -1.1845 -2.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1371 -1.2338 -2.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 2.1897 0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7902 2.3107 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8733 1.5680 0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1453 0.3512 -1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -0.0537 -2.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4769 0.3848 -2.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8254 -1.2060 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 2.3763 -1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 2.4693 0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5727 3.3663 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1669 2.1830 -1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1201 2.2580 1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8378 2.3154 0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7425 -0.9747 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9529 0.6819 3.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7133 0.5214 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3294 -1.0824 1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0186 -0.5796 -0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -1.8359 0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7057 0.9225 1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 -2.0795 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -1.0570 2.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7946 -2.2546 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5985 -0.4302 1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6946 -3.1014 -1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -2.6489 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 -2.0117 -2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1719 -0.0403 -1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1761 2.9472 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4424 1.9211 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6713 1.3433 1.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 3.2047 -0.4740 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 2 0 6 8 1 0 5 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 13 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 2 1 0 31 5 1 0 29 11 1 0 29 16 1 0 26 17 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 12 48 1 0 12 49 1 0 12 50 1 0 14 51 1 0 15 52 1 0 15 53 1 0 16 54 1 0 18 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 20 60 1 0 20 61 1 0 21 62 1 0 22 63 1 0 24 64 1 0 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 25 69 1 0 26 70 1 0 27 71 1 0 27 72 1 0 28 73 1 0 28 74 1 0 30 75 1 0 30 76 1 0 30 77 1 0 31 78 1 0 33 79 1 0 33 80 1 0 33 81 1 0 34 82 1 0 M END