HMDB0036389 RDKit 3D 3-Phenylpropyl isovalerate 36 36 0 0 0 0 0 0 0 0999 V2000 -4.4377 0.9715 1.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3256 0.8824 0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7974 1.2916 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -0.5195 0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6643 -0.6194 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3342 0.3675 -1.2073 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0211 -1.8165 -0.6742 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 -2.0533 -1.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1636 -1.1234 -1.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6698 -1.3534 0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7842 -0.3904 0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 0.8797 0.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5824 1.7735 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8747 1.4196 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 0.1553 0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0834 -0.7522 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 2.0021 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3254 0.3889 1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0314 0.4725 2.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5446 1.5876 0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0399 1.9579 -1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7143 1.9267 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 0.4413 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5733 -1.2501 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 -0.7277 1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -1.8767 -2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3481 -3.0927 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9484 -0.0662 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -1.4163 -1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -2.3951 0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 -1.1612 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5295 1.1179 1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3659 2.7447 1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7184 2.0891 0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1345 -0.1151 0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -1.7406 -0.3254 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 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 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 4 24 1 0 4 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 M END