HMDB0031729 RDKit 3D Phenylmethylglycidic ester 29 30 0 0 0 0 0 0 0 0999 V2000 5.2068 1.2919 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2248 0.2393 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 0.6370 0.0947 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 -0.2703 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1126 -1.3590 -0.5564 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4284 0.1934 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0756 -0.7592 1.3026 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 -0.7203 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5464 -1.8472 -0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1096 -0.1497 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5282 0.6601 -0.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8472 1.1376 -0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6203 0.7410 0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1594 -0.0854 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -0.5647 1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1333 0.8093 0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8207 1.8676 1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5148 1.9585 -0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4598 -0.6675 0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3029 -0.0881 -1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 1.2323 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -1.9863 -1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -1.6614 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3386 -2.8202 -0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9189 0.9614 -1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 1.7741 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6647 1.0923 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7814 -0.3670 2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4666 -1.2495 1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 8 6 1 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 6 21 1 0 9 22 1 0 9 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 15 29 1 0 M END