HMDB0033901 RDKit 3D Glyceollin I 43 47 0 0 0 0 0 0 0 0999 V2000 -5.6410 -0.2985 -0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6884 0.4859 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4869 1.4402 0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8095 1.2744 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4948 1.1690 -0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 0.2191 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6203 -0.5503 0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9842 -1.4319 1.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6128 -1.5723 1.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1521 -0.8130 0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4824 0.0648 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3226 0.8210 -0.8132 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4944 0.2967 -1.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1351 -0.8095 -0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0455 -2.0385 -1.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5502 -0.4236 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7027 -0.6122 -1.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8826 -0.1159 -0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 0.5447 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1552 1.0415 1.1461 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.7079 1.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 0.2295 0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2503 0.2681 1.3914 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6155 -0.8976 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9869 -0.3853 0.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5765 -0.4985 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8456 0.2620 -1.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2207 -1.2777 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4139 2.4894 0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5477 1.1666 0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0756 1.4181 1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3354 1.9734 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 1.7575 -1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 -2.0259 2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1189 -2.2826 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2775 -0.1134 -2.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 1.1644 -1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 -2.6807 -0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6811 -1.1339 -2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8206 -0.2414 -1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3748 2.0047 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 1.2278 2.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 -1.8243 1.2954 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 7 25 1 0 25 2 1 0 11 6 1 0 24 14 1 0 24 10 1 0 22 16 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 8 34 1 0 9 35 1 0 13 36 1 0 13 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 20 41 1 0 21 42 1 0 24 43 1 0 M END