HMDB0040266 RDKit 3D Nonyl acetate 35 34 0 0 0 0 0 0 0 0999 V2000 -4.5471 1.2265 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5054 -0.2986 0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1295 -0.8089 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 -0.2160 1.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 -0.6846 1.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -0.3422 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 -0.8612 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 -0.5429 -1.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1852 -1.0981 -1.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9254 -0.4952 -0.7276 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2074 0.8431 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0203 1.3687 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 1.6284 -1.4594 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0447 1.5071 -0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6248 1.5172 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0754 1.7074 1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -0.6747 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9277 -0.6429 1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 -1.9093 0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8705 -0.5138 -0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4483 -0.5696 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 0.8884 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -1.7649 1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1011 -0.1526 1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7931 -0.7794 -1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1795 0.7548 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2013 -1.9672 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8829 -0.3875 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1316 -1.0445 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.5497 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -1.0438 -2.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -2.1855 -1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6407 0.9843 1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9948 2.4663 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0482 0.9606 0.4023 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 11 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 12 33 1 0 12 34 1 0 12 35 1 0 M END