HMDB0037495 RDKit 3D 3-Methylbutyl nonanoate 44 43 0 0 0 0 0 0 0 0999 V2000 7.4384 0.9757 0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1992 0.4225 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 0.4307 0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8406 -0.1684 0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 -0.2023 1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4139 -0.7805 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 0.0017 -0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 -0.5724 -1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -0.5459 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 -0.0055 0.3455 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4928 -1.1508 -1.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6772 -1.1672 -0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1599 0.2236 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4578 0.1114 0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -0.6610 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0026 1.4718 0.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2173 1.6575 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0576 0.1050 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0217 1.5125 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 1.0056 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 -0.6362 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1892 -0.1449 1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7907 1.4651 1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0769 -1.2043 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7383 0.4465 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 0.8309 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7806 -0.7998 1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 -0.8146 1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5978 -1.8616 0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7557 1.0586 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 0.1653 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 0.0278 -2.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 -1.6573 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4214 -1.7830 -1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4924 -1.6285 0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4686 0.8055 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4278 0.7211 -1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2197 -0.4761 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3857 -0.3432 -1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2464 -1.7383 -0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4491 -0.4657 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0311 1.3417 1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9903 2.0873 -0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3655 1.9400 1.6007 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 M END