HMDB0039273 RDKit 3D Pinostilbenoside 53 55 0 0 0 0 0 0 0 0999 V2000 8.4235 -0.2007 1.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7100 0.9940 1.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4648 0.8626 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7099 1.9972 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4947 1.8794 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 3.0021 -0.7609 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0147 0.6081 -0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7152 -0.5370 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2442 -1.8745 -0.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 -2.3045 -0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8579 -1.5907 -0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 -1.9359 -1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -1.3816 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -0.4549 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 0.0953 0.5795 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 -0.1224 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8777 -0.6434 1.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2135 -0.7046 0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9254 -0.1181 2.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3137 -0.1600 1.8697 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6916 -0.1025 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0705 0.1171 -0.3171 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 1.2266 -0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6255 2.2295 0.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 1.1966 -0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1843 2.2204 0.3855 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5251 -0.0875 0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7032 -0.6611 0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9496 -0.3469 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6411 -0.7614 0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7154 -0.8534 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3309 -0.0227 1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1108 2.9546 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 2.9078 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0722 0.5639 -1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0512 -2.6220 -1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 -3.3845 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7394 -2.6681 -1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4221 -1.7203 -1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1092 -0.8598 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5132 -1.7893 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7077 -0.7326 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6379 0.9279 2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6148 -1.0836 2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5354 -0.8094 -1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5930 -0.5174 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 1.4756 -1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1771 2.8617 -0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0656 1.3810 -1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9062 2.5164 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4722 0.6494 1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5651 -0.3662 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5129 -1.2500 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 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 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 14 27 1 0 27 28 2 0 8 29 2 0 29 3 1 0 28 11 1 0 25 16 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 6 34 1 0 7 35 1 0 9 36 1 0 10 37 1 0 12 38 1 0 13 39 1 0 16 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 27 51 1 0 28 52 1 0 29 53 1 0 M END