HMDB0037187 RDKit 3D Rhodinyl propionate 39 38 0 0 0 0 0 0 0 0999 V2000 4.2475 -1.3384 0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -0.3767 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0345 1.0328 0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 -0.7343 -1.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 -0.1755 -1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -0.8308 -0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 -0.4207 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8013 -1.2544 0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2515 1.0236 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 1.8195 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 1.5946 0.1471 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5644 0.6311 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4743 -0.2388 -0.8154 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6954 0.6172 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6482 -0.5102 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5214 -1.0710 1.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 -2.3819 0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 1.2845 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0569 1.2598 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8907 1.7225 -0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5743 -1.8268 -1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3014 -0.2437 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 0.9273 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -0.3721 -2.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5927 -0.4687 0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3837 -1.9315 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 -0.7491 -1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5256 -1.9470 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 -0.6824 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 -1.8958 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 1.2419 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 1.4850 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 1.9729 -1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 2.8965 -0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1994 1.6243 0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2841 0.5926 2.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -1.3562 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1167 -0.7894 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4351 -0.1305 0.0709 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 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 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END