HMDB0035713 RDKit 3D Ambolic acid 84 88 0 0 0 0 0 0 0 0999 V2000 6.1728 -0.6217 -1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8557 0.3454 -0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4001 0.6712 -0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 -0.2122 -1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0322 0.1016 -0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 1.5539 -1.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2032 -0.1719 0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5138 0.4034 1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 -0.1415 2.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3077 -1.1953 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 -2.4100 2.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5678 -0.6061 1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6645 -0.7432 2.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 0.0579 1.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 0.4727 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1991 0.9193 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2975 0.0503 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3886 2.3294 0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3799 1.0286 -1.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2275 2.0906 -2.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0553 1.1303 -2.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3271 -0.1936 -2.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2614 -0.5828 -0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3956 -1.9757 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -1.3042 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0258 -1.7846 -1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1479 -2.3965 -0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7612 -1.5328 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8551 -2.2157 1.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8034 1.1397 0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4826 2.6193 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2232 0.8835 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7105 0.0123 -0.6631 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1317 1.6780 0.8279 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 -0.9885 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3848 -1.1938 -1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 0.5805 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2841 1.7436 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 -0.0768 -2.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -1.3045 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5685 -0.4379 -1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6974 1.7380 -1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 1.6697 -2.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 2.2785 -0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1931 0.3407 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5387 1.4956 1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4143 -0.0289 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7241 -0.4676 3.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3031 0.7225 2.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -2.9807 1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -3.1443 2.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -2.1580 3.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 0.5018 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1926 -0.3391 3.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -1.7638 2.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8497 1.0003 2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 -0.4728 1.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 1.3839 0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2176 0.2889 -0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5825 0.3099 1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0973 -1.0094 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2238 2.3426 1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6022 2.9600 -0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4124 2.6894 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8955 0.1081 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9089 2.5079 -2.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4725 1.9875 -1.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 1.1803 -3.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3478 -0.0853 -2.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8808 -0.9679 -2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5372 -2.7303 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0431 -2.1750 0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 -2.5956 -1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7226 -1.0108 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8285 -2.7781 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2119 -3.3291 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 -1.8273 1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7964 -3.3278 1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7615 -2.0191 2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4923 1.0431 1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3524 3.2011 0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 2.8699 0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 2.7126 -1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8271 2.1561 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 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 2 30 1 0 30 31 1 0 30 32 1 0 32 33 2 0 32 34 1 0 28 7 1 0 28 10 1 0 25 12 1 0 23 15 1 0 25 23 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 11 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 17 59 1 0 17 60 1 0 17 61 1 0 18 62 1 0 18 63 1 0 18 64 1 0 19 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 24 71 1 0 24 72 1 0 26 73 1 0 26 74 1 0 27 75 1 0 27 76 1 0 29 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 31 83 1 0 34 84 1 0 M END