HMDB0003647 RDKit 3D Perillyl aldehyde 25 25 0 0 0 0 0 0 0 0999 V2000 -2.4180 -1.4517 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -0.4553 0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 0.5582 -0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4837 -0.2674 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3884 -1.3030 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7729 -1.0445 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.1994 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5428 0.4172 -0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 -0.5385 -0.8932 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 1.3896 0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 1.0840 0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7484 -2.1925 1.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4728 -1.5665 0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7576 0.0561 -0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1992 1.2666 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4059 1.1475 -1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2562 -0.2613 -1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0538 -2.3358 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4076 -1.1709 1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -1.9048 -0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9713 1.4111 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4552 2.1124 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7801 1.9121 1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 1.8890 -0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3295 1.0491 1.5081 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 2 0 7 8 1 0 8 9 2 0 7 10 1 0 10 11 1 0 11 4 1 0 1 12 1 0 1 13 1 0 3 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 8 21 1 0 10 22 1 0 10 23 1 0 11 24 1 0 11 25 1 0 M END