HMDB0031382 RDKit 3D Portuloside A 49 49 0 0 0 0 0 0 0 0999 V2000 0.6565 -0.2285 -2.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5626 -1.3714 -1.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5527 -1.4973 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4483 -2.6764 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -0.2989 0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7132 -0.2293 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 0.9429 0.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8392 1.7603 1.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 1.1697 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 2.1853 0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5068 0.2160 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6842 -1.5764 0.4676 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -0.5980 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0033 0.0164 1.4589 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 0.9603 1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5545 2.3074 0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 2.3193 -0.4093 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2801 0.4825 0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6451 1.2232 -0.3721 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1036 -0.9583 0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 -1.4486 -0.4277 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8128 -1.0873 -0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 -0.3121 -1.6576 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 0.7582 -1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6562 -0.2256 -3.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 -2.2819 -2.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 -2.5085 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2463 -2.7745 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9339 -3.6268 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3519 -0.4168 1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7355 0.6283 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 -1.1170 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 -0.2576 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9323 2.8757 1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4976 2.3430 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4148 0.6787 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8248 -0.0953 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -0.6920 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 0.1939 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2773 1.1636 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4685 2.9682 0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9002 2.8185 1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5488 2.7532 -1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1369 0.4939 1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6006 1.0722 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9129 -1.5470 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 -2.4385 -0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 -2.1268 -0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1846 0.0600 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 3 9 11 1 0 3 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 13 1 0 1 24 1 0 1 25 1 0 2 26 1 0 4 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 11 38 1 0 13 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 M END