HMDB0034472 RDKit 3D 3-Phenylpropyl 2-methylpropanoate 33 33 0 0 0 0 0 0 0 0999 V2000 2.6358 1.9225 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1964 1.0157 -0.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 0.4329 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 -0.1185 -0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7123 -0.3092 -2.1188 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 -0.9780 0.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -2.0564 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3901 -1.6254 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 -0.6686 0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2318 -0.1707 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3243 -0.8604 0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6283 -0.4446 0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8693 0.7015 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7809 1.3905 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 0.9735 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 1.3218 1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5098 2.4676 0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9095 2.6407 -0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3552 1.5206 -1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 0.3150 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3757 1.0625 -0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6273 -0.6063 -0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 -2.8368 -0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9467 -2.5819 0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 -2.5013 -0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 -1.0822 -1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 0.1624 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7897 -1.1656 1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1123 -1.7693 1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4455 -1.0324 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8803 1.0551 -0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9709 2.2831 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 1.5421 -0.7920 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 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END