HMDB0003553 RDKit 3D Stachyose 87 90 0 0 0 0 0 0 0 0999 V2000 4.6087 4.2034 1.2677 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0442 2.9213 1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9192 1.9760 1.8857 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5184 0.6794 1.8266 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5574 -0.1550 1.4926 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6197 -1.3930 2.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -2.1117 2.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7095 -0.4649 0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 -1.0891 -0.4881 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1844 -0.3310 -1.5314 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -0.7398 -1.8322 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8825 -0.0047 -0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -0.0705 -1.1292 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2934 -1.0493 -1.0412 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2120 -0.9150 0.0157 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1859 0.0147 -0.1541 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4285 -0.4968 0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5197 0.3596 0.4299 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6425 -0.1616 1.0720 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9762 0.6420 2.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5874 1.8251 1.8610 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9710 1.8194 2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8463 1.6399 3.8864 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7534 2.1716 0.4046 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7697 3.1285 0.3369 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1935 0.9934 -0.4236 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5600 1.0326 -0.6553 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8194 -0.3256 0.1663 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6188 -1.3113 -0.8034 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 0.4406 -1.5609 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6136 1.1240 -1.7329 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3872 -0.7933 -2.4320 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2742 -1.7491 -1.9469 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9963 -1.3680 -2.3620 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2566 -0.6552 -3.3388 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7399 -2.2175 -1.6866 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9169 -2.7013 -2.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0948 -2.9113 -1.9751 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8817 -4.2856 -1.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1342 -2.4678 -1.0052 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3499 -2.3926 -1.6792 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8348 0.6549 1.8606 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9239 0.2035 1.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3512 2.0199 1.4194 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0711 3.0509 2.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 4.2953 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0586 2.9601 1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9796 2.6704 0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8838 2.3598 2.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7804 -1.1264 3.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 -2.0152 2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7179 -1.6718 2.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8635 -1.2720 0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6955 -0.4667 -2.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2002 -0.1130 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1793 1.1108 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2122 -2.0258 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8739 0.9554 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2271 -0.5299 1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6881 -1.5396 0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3483 -1.1593 1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0031 2.6360 2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4738 2.8185 2.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6534 1.0955 2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5834 2.5165 4.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8412 2.6558 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4673 2.9348 -0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6845 1.0951 -1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7258 1.3641 -1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6685 -0.6995 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1822 -2.1023 -0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6137 1.1521 -1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5591 2.0639 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6262 -0.5381 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -2.5490 -2.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9642 -2.4238 -2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5086 -1.0761 -4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3735 -2.5708 -0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4944 -3.5566 -2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3666 -2.7047 -3.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4639 -4.6761 -2.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2847 -3.1169 -0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -1.6876 -1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9608 0.5682 2.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2933 0.8723 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3989 2.0432 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9741 2.7134 2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 5 8 1 6 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 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 16 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 11 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 5 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 44 3 1 0 40 9 1 0 34 14 1 0 28 19 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 1 6 50 1 0 6 51 1 0 7 52 1 0 9 53 1 1 11 54 1 6 12 55 1 0 12 56 1 0 14 57 1 1 16 58 1 1 17 59 1 0 17 60 1 0 19 61 1 1 21 62 1 1 22 63 1 0 22 64 1 0 23 65 1 0 24 66 1 6 25 67 1 0 26 68 1 6 27 69 1 0 28 70 1 1 29 71 1 0 30 72 1 6 31 73 1 0 32 74 1 6 33 75 1 0 34 76 1 6 35 77 1 0 36 78 1 1 37 79 1 0 38 80 1 6 39 81 1 0 40 82 1 1 41 83 1 0 42 84 1 1 43 85 1 0 44 86 1 6 45 87 1 0 M END