HMDB0037408 RDKit 3D Neocarlinoside 69 73 0 0 0 0 0 0 0 0999 V2000 0.7355 -4.1548 -0.8429 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -3.0203 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6035 -2.8800 -0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 -1.6392 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5552 -1.4535 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0654 -0.1749 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 0.0637 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -0.9492 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7102 -0.7035 -0.0575 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 -2.2066 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7479 -3.2347 -0.5924 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4722 -2.4449 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -0.6043 -0.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9931 -0.6800 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 0.4423 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 1.6939 0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 1.6385 1.7226 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.6145 1.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2707 3.9335 1.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1546 4.9691 2.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1461 4.0884 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 5.2617 0.5959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1196 2.9394 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 3.1816 1.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1423 0.2762 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9176 1.3890 0.4009 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 -0.9446 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2014 -0.9795 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6314 -0.1399 -1.1616 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9536 0.0386 -1.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6702 0.9994 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2003 2.2892 -0.5687 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6721 -1.2747 -1.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0221 -1.0515 -1.6033 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3772 -2.0175 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0314 -3.2341 -0.0977 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8502 -2.3252 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 -3.0249 0.9774 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9538 -2.0658 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -3.2024 -0.6333 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 -1.9237 -0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 -3.7724 -0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3541 0.6003 0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 1.0536 0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0166 0.2502 0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3782 -4.1543 -0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1268 -3.4546 -0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 1.7877 -0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4884 2.7667 3.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 2.1956 1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2147 4.2036 0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4465 5.8259 1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4809 4.0995 -0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0088 5.5339 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5531 3.0430 -0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 2.5958 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9086 1.3270 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5521 -0.5242 0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0522 0.4946 -2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7417 1.0122 -0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6703 0.6896 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3308 2.7926 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2801 -1.8471 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5520 -1.2112 -0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6223 -1.3865 0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7688 -3.8292 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7537 -2.8892 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1835 -2.6036 1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 -4.0885 -0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 4 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 15 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 30 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 27 39 1 0 39 40 1 0 39 41 2 0 41 2 1 0 12 5 1 0 41 14 1 0 23 16 1 0 37 28 1 0 3 42 1 0 6 43 1 0 7 44 1 0 9 45 1 0 11 46 1 0 12 47 1 0 16 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 24 56 1 0 26 57 1 0 28 58 1 0 30 59 1 0 31 60 1 0 31 61 1 0 32 62 1 0 33 63 1 0 34 64 1 0 35 65 1 0 36 66 1 0 37 67 1 0 38 68 1 0 40 69 1 0 M END