HMDB0004078 RDKit 3D Cinnavalininate 30 32 0 0 0 0 0 0 0 0999 V2000 4.4601 -0.4469 -0.6114 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 0.1816 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0275 -0.5616 -0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 -1.9603 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -2.6772 -0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 -2.5901 -0.8979 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 0.0353 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3704 -0.5976 -0.1351 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5116 0.1022 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7146 -0.5586 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8292 -1.9866 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -2.7164 -0.3802 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1183 -2.5730 -0.1174 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8675 0.1972 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8379 1.5424 0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6235 2.1878 0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4551 1.4796 0.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3089 2.0854 0.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8278 1.4881 0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 2.1976 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 1.5237 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2342 2.1963 -0.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -0.5585 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6683 -0.7996 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3857 -3.1999 -1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8370 -2.1948 -0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7942 -0.3505 0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7635 2.0549 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5782 3.2497 0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 3.2500 0.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 3 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 10 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 2 1 0 19 7 1 0 17 9 1 0 1 23 1 0 1 24 1 0 6 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 20 30 1 0 M END