HMDB0039230 RDKit 3D Citrusin A 72 74 0 0 0 0 0 0 0 0999 V2000 7.3599 -0.4132 -3.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 -0.4264 -2.7024 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7039 -0.6364 -1.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6758 -0.8260 -0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4195 -1.0401 0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5089 -1.3375 1.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6365 -1.1103 3.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6304 -0.4366 3.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3549 0.7252 4.4386 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1034 -1.0560 1.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 -0.8606 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3699 -0.6517 -0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 -0.4637 -1.9033 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 -0.4323 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3705 -1.4286 -2.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8234 -2.6934 -2.3765 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4498 0.9664 -1.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 1.7859 -1.0036 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 0.9595 -1.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8671 1.1817 -2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 1.1643 -2.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8215 0.9254 -1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1613 0.9430 -1.3432 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0408 0.7167 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0503 -0.2098 -0.6612 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5786 -0.6758 0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4303 -1.9130 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4996 -1.6630 -0.5197 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3775 0.4337 1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8546 0.0257 2.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4648 1.6179 1.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1084 2.6772 2.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7925 1.9774 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6939 2.4211 -0.8282 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 0.7075 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4357 0.4661 0.9195 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5553 0.2427 1.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5633 0.7242 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7559 -1.4372 -2.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 -0.2475 -4.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9684 0.2993 -2.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7301 -0.8176 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3838 -1.8533 1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -1.4317 3.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7884 0.0287 3.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3019 -1.0156 4.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8616 1.0812 3.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7819 -1.2811 2.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 -0.8846 0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -0.7087 -0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5389 -1.1790 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2718 -1.4100 -2.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0342 -3.1711 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 1.3536 -2.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4544 1.8827 -0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 1.3763 -3.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8479 1.3411 -3.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5877 0.3327 0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7252 -0.9115 1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8525 -2.7527 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8361 -2.1966 1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1689 -0.9709 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1946 0.7991 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2421 -0.7065 2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6466 1.2279 2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5850 3.4975 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0236 2.7412 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7880 3.4032 -0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1634 0.0610 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 -0.5827 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0049 1.2095 2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0593 0.5362 0.3415 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 5 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 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 26 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 22 35 1 0 35 36 1 0 36 37 1 0 35 38 2 0 12 3 1 0 38 19 1 0 33 24 1 0 1 39 1 0 1 40 1 0 1 41 1 0 4 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 17 54 1 0 18 55 1 0 20 56 1 0 21 57 1 0 24 58 1 0 26 59 1 0 27 60 1 0 27 61 1 0 28 62 1 0 29 63 1 0 30 64 1 0 31 65 1 0 32 66 1 0 33 67 1 0 34 68 1 0 37 69 1 0 37 70 1 0 37 71 1 0 38 72 1 0 M END