HMDB0033933 RDKit 3D Lauric aldehyde 37 36 0 0 0 0 0 0 0 0999 V2000 5.6122 0.2454 -0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3205 0.8493 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 0.5622 -0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 -0.9027 -0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7648 -1.1179 0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5229 -0.4616 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -0.6848 1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8346 0.0314 0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0495 -0.1186 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 0.5612 0.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6151 0.0128 -0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8125 0.6802 -1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1851 0.2986 -2.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4131 1.0220 -0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9893 -0.4287 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5761 -0.3342 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4481 1.9606 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 0.4841 -2.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2858 1.0751 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3899 1.0514 0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -1.3636 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8392 -1.4015 0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 -0.6557 1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5902 -2.2031 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6222 0.6484 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -0.8629 -0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 -1.7849 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4249 -0.3213 2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 1.1109 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9406 -0.3591 -0.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2144 -1.1880 1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8006 0.3448 2.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1249 1.6633 0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1038 0.3710 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7623 0.2011 -1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8541 -1.0589 -0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3596 1.4606 -0.5937 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 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 7 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 11 35 1 0 11 36 1 0 12 37 1 0 M END