HMDB0250845 RDKit 3D Danshensu 24 24 0 0 0 0 0 0 0 0999 V2000 -4.2765 -0.7677 0.4009 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 -0.0094 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 0.7855 -1.2131 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0541 0.0126 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 -0.8729 1.4477 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 -0.3552 -0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2908 -0.3711 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 -1.4906 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 -1.4092 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 -0.2386 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3263 -0.1629 0.6722 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3537 0.8860 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0787 2.0866 -0.2955 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0217 0.7843 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3074 1.6456 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 1.0217 0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -1.0342 1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 -1.3931 -1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.3435 -1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4219 -2.4311 0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 -2.2886 0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 0.6942 0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 2.8700 -0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5563 1.6947 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 2 0 14 7 1 0 3 15 1 0 4 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 8 20 1 0 9 21 1 0 11 22 1 0 13 23 1 0 14 24 1 0 M END