HMDB0246542 RDKit 3D 4-Nitrophenyl hexanoate 32 32 0 0 0 0 0 0 0 0999 V2000 -4.8045 -1.1618 0.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -0.1884 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6887 0.8176 -0.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2999 0.1647 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 1.3062 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 0.8782 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 0.9073 -1.4072 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8124 0.4243 0.7845 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 0.0431 0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -1.1786 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -1.4147 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9043 -0.4772 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2893 -0.7364 0.3364 N 0 0 0 0 0 4 0 0 0 0 0 0 6.6758 -1.8449 -0.0443 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1993 0.2245 0.6551 O 0 0 0 0 0 1 0 0 0 0 0 0 4.4316 0.7668 0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0894 1.0118 0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2247 -0.7285 1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8715 -1.3606 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3982 -2.1256 0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7381 -0.7387 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7516 0.3566 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7994 1.4727 -1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8128 1.4675 0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1675 -0.4887 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2417 -0.4753 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4932 1.9411 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 1.9137 0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8451 -1.9338 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3104 -2.3817 -0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 1.5347 1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 2.0046 1.2987 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 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 2 0 17 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 10 29 1 0 11 30 1 0 16 31 1 0 17 32 1 0 M CHG 2 13 1 15 -1 M END