HMDB0037631 RDKit 3D 3-Methyl-alpha-ionyl acetate 44 44 0 0 0 0 0 0 0 0999 V2000 5.3221 -1.7578 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4934 -0.5322 0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.5857 -0.0718 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1755 -0.5365 0.8231 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 0.6154 0.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9278 0.9822 2.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1972 0.3565 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3756 -0.0199 -1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0406 0.4634 0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2015 0.1942 -0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8594 1.4995 -0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0858 2.5955 -1.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0672 1.7796 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8663 0.7383 0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 -0.6485 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 -0.9232 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 -2.1363 -0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6978 -1.3619 1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3744 -1.4394 0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3453 -2.2305 -0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 -2.4635 1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 1.4492 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 0.2061 2.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7815 1.1910 2.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 1.8874 2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4794 -0.0735 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9761 0.7105 -2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -1.0547 -1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 0.7333 1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 -0.0728 -1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0302 2.5928 -1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5122 3.5894 -1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1162 2.4982 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4917 2.7974 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9369 0.9129 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8511 0.8781 1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0054 -1.3629 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9351 -0.8681 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 -2.8338 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -2.6786 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8001 -1.7670 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6734 -1.7933 1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 -2.1537 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 -0.5488 2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 10 1 0 1 19 1 0 1 20 1 0 1 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 6 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 12 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 M END