HMDB0038051 RDKit 3D alpha-Terpinyl anthranilate 43 44 0 0 0 0 0 0 0 0999 V2000 5.3518 0.1171 -1.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0879 -0.3479 -0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9726 -0.5552 -1.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -1.0151 -0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5229 -0.5437 0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4106 0.4938 0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6533 1.7169 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 0.8881 2.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7925 -0.1703 0.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0394 0.4359 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 1.6396 0.5889 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2612 -0.2699 -0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -1.6027 -0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4499 -2.2655 -0.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6436 -1.5946 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6333 -0.2604 -0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 0.4058 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5023 1.7934 0.3134 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7378 -0.0197 1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0315 -0.5987 0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 -0.1399 -2.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1876 -0.3393 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4073 1.2183 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -0.3791 -2.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8677 -0.6113 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6569 -2.1303 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1554 -1.4336 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3444 2.6040 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1273 1.7187 -1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7355 1.8312 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8225 1.8698 2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 0.0915 2.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7164 0.9932 2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 -2.1217 -0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4069 -3.3037 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5956 -2.0708 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5351 0.3290 -0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5036 2.0129 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5326 2.5087 -0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6987 -0.2855 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 1.0790 1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 -0.0240 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1613 -1.6643 0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 5 19 1 0 19 20 1 0 20 2 1 0 17 12 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 8 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 20 42 1 0 20 43 1 0 M END