HMDB0038478 RDKit 3D Rubrofusarin 6-gentiobioside 74 78 0 0 0 0 0 0 0 0999 V2000 -3.0584 -5.1552 -1.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1134 -4.2549 -0.7363 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 -2.9450 -0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6399 -2.0081 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9688 -0.6952 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1045 0.2214 0.7838 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2266 0.0594 1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.7233 0.3794 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 1.6650 0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2265 1.0956 1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0345 0.5680 0.4176 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 -0.4890 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4845 -1.5942 -0.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 -1.2721 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5361 -2.4859 -0.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3631 -3.6011 -0.0638 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 -0.0358 -1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2844 -0.3111 -1.8312 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 0.5656 -1.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 0.5892 -3.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7514 -0.0921 -1.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 0.7833 -2.2021 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3166 2.4126 2.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2896 3.2730 1.7485 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 1.4739 3.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0355 1.2563 4.0342 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4093 0.2066 2.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8761 0.0009 3.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2626 -0.2952 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6935 1.0099 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 1.9801 0.6459 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0145 1.3844 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4353 2.6849 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 3.5105 0.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7291 3.0058 -0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5987 2.0802 -0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0021 2.4521 -1.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 0.8694 -1.0444 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9058 0.4980 -0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 -0.7936 -0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1826 -1.1683 -0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7768 -2.4898 -0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0411 -5.0934 -0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 -6.2114 -1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2626 -4.9517 -2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6725 -2.3822 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 -1.0343 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1844 2.4768 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7811 1.8171 2.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0072 0.2287 2.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 -0.8894 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 -1.1983 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6098 -2.3025 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1087 -2.6747 -1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6924 -3.3990 0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5251 0.7605 -0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1248 -0.0460 -1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9353 1.6530 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 1.1698 -3.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 -1.0315 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3485 0.5122 -3.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1548 3.0595 2.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1701 3.2613 0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1844 1.9765 3.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 0.4131 4.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0147 -0.6426 3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3374 0.8498 3.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0383 2.0990 0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0811 4.0156 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9560 2.8291 -2.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6673 1.5617 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4377 3.1882 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1653 -1.5299 -1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5154 -3.1674 -1.2443 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 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 1 0 19 21 1 0 21 22 1 0 9 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 5 29 2 0 29 30 1 0 30 31 1 0 30 32 2 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 2 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 3 1 0 27 7 1 0 41 29 1 0 21 12 1 0 39 32 1 0 1 43 1 0 1 44 1 0 1 45 1 0 4 46 1 0 7 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 12 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 19 58 1 0 20 59 1 0 21 60 1 0 22 61 1 0 23 62 1 0 24 63 1 0 25 64 1 0 26 65 1 0 27 66 1 0 28 67 1 0 31 68 1 0 35 69 1 0 37 70 1 0 37 71 1 0 37 72 1 0 40 73 1 0 42 74 1 0 M END