HMDB0039150 RDKit 3D Flavidulol C 80 83 0 0 0 0 0 0 0 0999 V2000 3.1090 -2.9162 -3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6957 -2.3511 -2.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -1.7606 -1.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -1.1946 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4877 -0.5682 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8088 0.1267 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 1.4491 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9065 2.1171 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8683 3.4859 -1.2807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 4.0795 -1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 1.5576 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2691 0.2279 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0291 -0.4561 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 -1.8143 0.0892 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4835 -0.5521 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6234 -0.5479 -1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6314 -1.4534 -2.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6655 0.1807 -0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9228 1.0660 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1181 1.6564 1.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3119 2.7975 1.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2924 3.6431 2.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5247 3.2796 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3667 2.4688 -0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2494 -0.4942 0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7194 0.1522 1.8593 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 -1.0438 0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0239 -1.6823 -0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 -2.3659 -0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4585 -1.6833 -0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0848 -0.5854 -0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2536 -0.1033 -1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6012 0.1657 0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9137 -0.4251 1.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4808 -1.6423 2.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 -1.9196 2.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 -3.1673 3.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3007 -0.8557 2.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -3.6111 -4.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5533 -2.1805 -4.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0273 -3.5830 -3.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 -1.2521 -2.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 1.9782 -0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 3.9489 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0649 3.5889 -2.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6621 5.1567 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2172 -2.3168 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 -1.6720 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6807 -0.7067 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3417 -2.4533 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0031 -1.0536 -3.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7199 -1.5767 -2.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4955 0.0562 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7736 0.5310 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6021 1.9488 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9622 2.0045 2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7025 0.8816 1.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7715 4.5902 2.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7448 3.1022 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2224 3.7922 2.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9628 4.2056 0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2124 2.1814 -1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9672 3.2787 -1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 0.2877 2.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1097 -3.2256 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5485 -3.0623 0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 -2.1359 -1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4831 0.9391 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0436 -0.0548 -2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1174 -0.7160 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2387 1.1488 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6773 0.5954 0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 0.3828 2.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0639 -0.4011 2.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -2.3766 2.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4481 -3.8523 3.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 -3.7747 2.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9836 -2.9678 4.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 0.1894 2.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4894 -0.8625 2.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 5 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 36 38 1 0 28 3 1 0 13 6 1 0 38 27 1 0 24 11 1 0 1 39 1 0 1 40 1 0 1 41 1 0 4 42 1 0 7 43 1 0 10 44 1 0 10 45 1 0 10 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 17 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 22 58 1 0 22 59 1 0 22 60 1 0 23 61 1 0 24 62 1 0 24 63 1 0 26 64 1 0 29 65 1 0 29 66 1 0 30 67 1 0 32 68 1 0 32 69 1 0 32 70 1 0 33 71 1 0 33 72 1 0 34 73 1 0 34 74 1 0 35 75 1 0 37 76 1 0 37 77 1 0 37 78 1 0 38 79 1 0 38 80 1 0 M END