HMDB0037191 RDKit 3D Rhodinyl phenylacetate 46 46 0 0 0 0 0 0 0 0999 V2000 -6.2774 0.4268 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 0.9174 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2398 2.3336 1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9437 0.1118 0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1031 -1.2709 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9948 -2.2231 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6532 -1.9275 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5589 -1.6704 -1.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7498 -1.0756 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 -0.9233 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 -0.1160 0.7326 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 0.1598 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 -0.3188 -0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 0.9801 0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9881 1.1259 0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2392 2.1387 -0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4491 2.2074 -1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4540 1.2790 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1954 0.2648 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9846 0.1988 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1827 1.0139 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2662 -0.6007 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2761 2.6027 1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8693 2.9497 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5579 2.4134 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1284 0.6053 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6486 0.1715 1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0215 -1.6890 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4333 -1.2686 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 -2.4613 1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -3.2357 0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1379 -3.0101 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7258 -0.5987 -1.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5599 -1.9275 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 -2.3315 -2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -0.0866 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5549 -1.5300 1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 -0.3885 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 -1.9264 -0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3238 1.9991 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9719 0.5223 1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 2.8599 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6372 3.0097 -2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3927 1.3631 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9884 -0.4551 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8065 -0.6192 1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 14 40 1 0 14 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 M END