HMDB0032342 RDKit 3D Isobornyl isobutyrate 40 41 0 0 0 0 0 0 0 0999 V2000 3.4146 1.3533 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4684 -0.1357 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7506 -0.4812 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3317 -0.6155 -0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -1.1766 -1.4076 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0499 -0.4569 0.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1139 -0.8599 -0.4731 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8984 -1.8483 0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2534 -1.2209 0.6149 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0132 -1.3178 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1883 -0.4488 -1.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1144 0.2006 -0.7282 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6315 1.4866 -1.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 0.2681 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0689 0.6883 1.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1234 1.1001 0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2675 1.6029 1.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 1.8222 0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6379 1.8663 0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5354 -0.6302 1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7219 0.0746 -1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -0.1203 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7668 -1.5823 -0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 -1.3453 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3475 -2.0255 1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 -2.7834 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 -1.5186 1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0226 -0.8929 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0865 -2.3540 -1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6928 -1.1092 -2.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7766 0.2837 -2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3556 1.4832 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3555 1.8808 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6034 2.2829 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 1.5150 2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 -0.1616 2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0706 1.0875 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 1.3345 -0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8952 2.0896 0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9427 0.6648 1.0930 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 4 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 1 6 12 14 1 0 14 15 1 0 14 16 1 0 12 7 1 0 14 9 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 7 24 1 6 8 25 1 0 8 26 1 0 9 27 1 1 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 13 32 1 0 13 33 1 0 13 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 M END