HMDB0034937 RDKit 3D Cappariloside A 42 44 0 0 0 0 0 0 0 0999 V2000 -3.4715 4.0595 -1.8777 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 3.2451 -1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 2.2218 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1848 1.2197 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 1.3418 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0595 0.1845 0.6943 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0331 -0.6851 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0363 -2.0110 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -2.6997 1.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 -2.0774 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -0.7607 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 -0.0825 -0.0829 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7051 -0.0309 -0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3645 0.9138 0.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6755 1.1354 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1749 1.5190 1.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5271 1.7741 1.5929 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5637 0.0389 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4943 0.5901 -1.2426 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 -1.0619 -1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 -2.1602 -1.1384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -1.3712 -0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9017 -2.3478 -1.1098 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8744 -0.0815 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 2.6474 0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5954 1.6688 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0696 2.2727 0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0627 0.0421 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9604 -2.4893 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8416 -3.7466 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7724 -2.6796 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8177 0.0792 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8775 2.0994 -0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 0.5603 2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 2.2755 2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 2.3885 0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1765 -0.3476 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 -0.0654 -1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 -0.7417 -2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8529 -2.3981 -2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 -1.5992 0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 -2.8399 -1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 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 15 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 11 24 2 0 24 4 1 0 24 7 1 0 22 13 1 0 3 25 1 0 3 26 1 0 5 27 1 0 6 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 13 32 1 0 15 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 22 41 1 0 23 42 1 0 M END