HMDB0035635 RDKit 3D Kanokoside A 65 68 0 0 0 0 0 0 0 0999 V2000 5.4777 -2.7001 -1.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 -1.5743 -1.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4768 -1.2073 -1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -0.3906 -1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9996 -0.8282 -0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8685 -1.9915 0.0475 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9636 0.0723 -0.1885 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7794 -0.2338 0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7743 -0.3141 -0.5399 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -0.2588 -0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9202 0.6589 0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 0.9360 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2843 0.2056 0.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 0.2238 -0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8295 -1.0200 -1.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0213 -1.6547 -0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3355 -2.0566 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5997 -2.6904 0.5268 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2041 -0.9021 -1.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7624 -1.5253 -2.5212 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7223 0.4918 -1.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8272 1.2197 -2.2001 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 1.0492 -0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6793 2.3866 -0.9016 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 1.4949 1.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8915 2.2905 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3675 3.5364 0.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3098 2.5239 0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3441 1.7722 1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 2.5865 2.8528 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 1.4070 2.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4896 0.6812 3.6418 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4036 0.6255 1.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6822 -2.2882 -2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2381 -3.1708 -2.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1131 -3.4970 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3789 -1.8958 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 -0.4954 -2.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 -2.1114 -2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1767 -0.7741 -1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9819 -0.0107 -2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7242 0.3908 -0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 -1.3065 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -0.9203 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1457 0.7374 2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4641 2.0539 1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9537 0.8123 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -2.6148 -1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4207 -1.2440 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5889 -2.7784 0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5777 -3.2447 -0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0067 -0.7819 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3905 -1.1058 -3.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0075 0.3633 -2.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1363 1.8594 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5597 0.9260 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5213 2.9071 -0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0524 2.1168 2.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8802 1.9792 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 2.5527 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8119 3.5323 2.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 0.9803 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1644 2.3673 2.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 -0.2211 3.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 0.0675 2.5391 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 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 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 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 11 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 29 33 1 0 33 8 1 0 23 14 1 0 33 25 1 0 28 26 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 8 43 1 0 10 44 1 0 12 45 1 0 12 46 1 0 14 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 19 52 1 0 20 53 1 0 21 54 1 0 22 55 1 0 23 56 1 0 24 57 1 0 25 58 1 0 26 59 1 0 28 60 1 0 30 61 1 0 31 62 1 0 31 63 1 0 32 64 1 0 33 65 1 0 M END