HMDB0004231 RDKit 3D Panthenol 33 32 0 0 0 0 0 0 0 0999 V2000 -1.7890 0.7495 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1976 0.0876 -0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6559 -0.3628 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2295 1.1313 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1682 2.0950 -1.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 -1.1416 -0.7258 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9572 -1.6079 -1.9413 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -1.0267 -0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 -1.2888 -1.9414 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9074 -0.6546 0.2124 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3354 -0.5613 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0096 -0.1397 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4915 -0.0328 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 0.3591 2.4061 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 1.4327 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.0619 1.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 1.4372 1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6288 -1.3751 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 0.3131 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1375 -0.4602 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 1.6741 -1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5859 0.7317 -2.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7941 2.9819 -0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -1.9104 0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4102 -1.1668 -2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5068 -0.4380 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 -1.4680 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5576 0.2562 -0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7979 -0.8890 2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6253 0.8343 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 0.7037 0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 -1.0164 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9823 0.6910 2.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 2 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 6 24 1 1 7 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 14 33 1 0 M END