HMDB0302844 RDKit 3D Phaseic acid 40 41 0 0 0 0 0 0 0 0999 V2000 2.7247 -1.4375 -1.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7066 -0.4171 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4528 0.0759 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2475 -0.2933 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 0.2890 0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 0.7447 2.0439 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -0.6397 0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 -1.6316 1.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 0.3894 1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7759 1.5998 0.5779 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 1.4361 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 2.6408 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 1.0293 -1.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6449 -0.1855 -1.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5177 -0.2943 -2.3882 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4067 -1.2659 -0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 0.0145 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1713 -0.4270 -0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3522 -1.2842 -1.0137 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3534 0.1106 0.4184 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3076 -2.3512 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -1.7559 -1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 -1.0524 -2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4893 0.8401 1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -1.0219 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.1449 2.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5036 -2.5101 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5844 -1.1562 2.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1183 -1.8776 2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 0.3660 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1894 0.0891 0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2963 3.5302 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 2.8794 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1404 2.5889 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9001 0.8551 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3483 1.9075 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3536 -1.8625 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -1.9731 -0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 0.7715 1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3956 1.1340 0.4068 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 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 2 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 11 5 1 0 16 7 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 4 25 1 0 6 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 12 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 20 40 1 0 M END