HMDB0032208 RDKit 3D Citronellyl anthranilate 45 45 0 0 0 0 0 0 0 0999 V2000 5.6365 0.1262 0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4135 -0.6919 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 -1.4988 -0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3453 -0.8141 -1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 -0.2393 -0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7401 0.5536 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3618 1.1839 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2939 1.9552 1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 0.2147 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0712 0.9519 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1694 0.0371 0.0775 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4789 0.4964 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6089 1.7460 0.2968 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6298 -0.3764 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5438 -1.7303 -0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6765 -2.5342 -0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9177 -1.9385 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0385 -0.5810 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8859 0.1836 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0752 1.5925 0.2347 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9703 -0.0038 1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6705 -0.1003 1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 1.1897 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1271 -1.8999 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3165 -0.7627 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3468 -2.3009 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5093 -1.5465 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3021 -1.1450 -1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 0.3929 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8182 -0.1516 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4988 1.3229 0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 1.9324 -0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3007 2.4158 1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1269 1.3069 2.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 2.8032 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 -0.5837 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2605 -0.2896 -0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 1.7363 -0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1716 1.3588 1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5664 -2.1711 -0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5890 -3.6080 -0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7879 -2.5815 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0317 -0.1578 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3347 1.9143 1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9676 2.2925 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 14 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 20 44 1 0 20 45 1 0 M END