HMDB0032559 RDKit 3D (±)-2-(1-Methylpropyl)-4,6-dinitrophenol 29 29 0 0 0 0 0 0 0 0999 V2000 -3.3086 -1.5698 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9469 -1.0573 -0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 -0.5087 0.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1581 0.6217 1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0765 0.0581 0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 1.4021 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 1.8909 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7177 3.2847 -0.0070 N 0 0 0 0 0 4 0 0 0 0 0 0 2.8682 3.7679 -0.1637 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6634 4.1126 0.0595 O 0 0 0 0 0 1 0 0 0 0 0 0 2.6647 1.0620 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4465 -0.3366 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6069 -1.1630 -0.0347 N 0 0 0 0 0 4 0 0 0 0 0 0 3.6187 -2.2773 -0.5511 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8401 -0.6973 0.4178 O 0 0 0 0 0 1 0 0 0 0 0 0 1.1780 -0.8042 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9503 -2.1746 0.3527 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1201 -0.9495 -0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 -2.5846 -0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3553 -1.7962 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 -1.9695 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9862 -0.3533 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 -1.2471 1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 1.3114 0.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1565 0.1448 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8219 1.1025 2.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 2.1291 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 1.4124 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7272 -2.8113 0.2778 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 2 0 16 17 1 0 16 5 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 4 24 1 0 4 25 1 0 4 26 1 0 6 27 1 0 11 28 1 0 17 29 1 0 M CHG 4 8 1 10 -1 13 1 15 -1 M END