HMDB0039241 RDKit 3D Pisumic acid 42 42 0 0 0 0 0 0 0 0999 V2000 0.0541 2.6626 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0183 1.6441 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2064 1.8854 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3961 1.0126 -0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4935 1.7095 0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1597 -0.1888 0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -0.6767 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4591 -1.0733 -1.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5427 -1.8973 1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 -2.8556 0.7366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 0.4252 0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1982 0.7238 2.0912 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5564 -0.0809 0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 0.0228 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -0.4610 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3359 -1.1219 0.9704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4864 -0.3024 -1.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 -0.7501 -1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 -1.3323 -0.4796 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5285 -0.5135 -2.5863 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9641 2.4535 0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 3.6824 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 2.8040 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 2.7997 -1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6662 0.6493 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2136 2.5839 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8939 -0.9700 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2863 0.1209 1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2716 -0.1859 -1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4167 -1.5246 -1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6956 -1.8610 -1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6784 -1.6409 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5289 -2.3207 0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 -3.1212 -0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6571 1.5112 2.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 -0.5539 1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9352 0.5201 -1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6975 -2.1517 0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2665 -0.5622 1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6928 -1.1014 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 0.2029 -2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -0.1666 -2.5074 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 1 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 7 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 11 2 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 8 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 14 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 20 42 1 0 M END