HMDB0031817 RDKit 3D Cuminyl alcohol 25 25 0 0 0 0 0 0 0 0999 V2000 2.7156 1.2079 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 -0.0980 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6217 -1.2619 0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 -0.0249 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 -0.1685 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5531 -0.0947 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 0.1226 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 0.2136 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1835 0.0420 -0.6522 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2238 0.2696 1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 0.1947 1.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 1.2072 0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 1.9849 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.5392 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3382 -0.2750 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4402 -1.1400 1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0895 -2.1736 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7026 -1.4388 0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 -0.3408 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2506 -0.2073 -1.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7522 1.2138 0.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7646 -0.5785 1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2552 -0.9503 -0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6022 0.4434 2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7719 0.3134 2.0295 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 2 0 11 4 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 5 19 1 0 6 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 M END