HMDB0034081 RDKit 3D Brassinolide 82 85 0 0 0 0 0 0 0 0999 V2000 -7.7531 -0.0958 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7588 0.7087 -0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7536 0.0774 -2.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4658 0.8441 -0.2508 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7246 1.5615 1.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7391 -0.4585 -0.1761 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4340 -0.8343 -1.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -0.6636 0.8943 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5725 -0.2956 2.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4572 -0.1223 1.0757 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9979 -0.6987 2.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -0.4947 0.1446 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6590 -0.0602 -1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 0.5310 -1.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 -0.2132 -0.9014 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0374 0.1461 -1.0641 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4917 -0.2962 -2.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3244 -1.4084 -2.4516 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5994 -1.5593 -1.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 -2.1946 -2.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1212 -1.0678 -0.6991 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5115 -0.5120 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1430 -0.2291 0.5028 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8789 -1.3527 0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 0.2873 1.5693 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7214 -0.2556 2.7939 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8095 -0.0893 1.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2846 -0.0638 0.0294 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4859 1.3495 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8608 -0.5147 0.0144 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2544 -0.2185 1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -0.6409 1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0262 0.0600 0.4299 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0598 1.5316 0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6712 0.4767 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0913 -1.0237 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3339 -0.4272 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2754 1.7364 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8578 0.0991 -2.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5303 -0.9879 -2.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 0.6608 -3.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8353 1.5515 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 2.5481 0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3818 1.0898 1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7781 1.9206 1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6141 -1.2018 0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3532 -0.0595 -2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7694 -1.8027 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2638 -0.9628 2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 1.0030 1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9043 -1.0961 3.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6323 0.0965 3.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3908 -1.5746 2.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 -1.6134 0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -0.9006 -1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3296 0.8013 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 1.5947 -1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2073 0.3355 -2.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4909 -1.2961 -1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 1.2508 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5994 -0.5993 -3.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8829 0.5833 -3.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2117 -1.9573 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 -1.2933 -1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5279 0.3736 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9362 0.5549 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3061 -1.1042 1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3691 1.4004 1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3864 0.3168 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2424 0.6221 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 -1.1462 1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5006 1.4822 -1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 1.9856 0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5118 1.6640 -0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8173 -1.6193 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 0.8701 1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 -0.7756 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 -1.7451 1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5842 -0.3093 2.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1482 1.6309 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9035 2.0683 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9045 2.0214 0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 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 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 6 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 1 33 12 1 0 33 15 1 0 30 16 1 0 28 21 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 3 41 1 0 4 42 1 6 5 43 1 0 5 44 1 0 5 45 1 0 6 46 1 1 7 47 1 0 8 48 1 1 9 49 1 0 10 50 1 1 11 51 1 0 11 52 1 0 11 53 1 0 12 54 1 6 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 6 16 60 1 6 17 61 1 0 17 62 1 0 21 63 1 1 22 64 1 0 22 65 1 0 23 66 1 6 24 67 1 0 25 68 1 1 26 69 1 0 27 70 1 0 27 71 1 0 29 72 1 0 29 73 1 0 29 74 1 0 30 75 1 6 31 76 1 0 31 77 1 0 32 78 1 0 32 79 1 0 34 80 1 0 34 81 1 0 34 82 1 0 M END