HMDB0038982 RDKit 3D 4-Nonylphenol 40 40 0 0 0 0 0 0 0 0999 V2000 -5.1860 1.6774 -1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2571 0.5385 -1.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0591 0.6286 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 -0.4350 0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 -0.3263 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 -1.3739 0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4819 -1.1613 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 -2.2001 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7831 -1.9702 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -0.6793 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 0.3398 -0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6459 1.6052 -0.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5531 1.8868 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1427 3.1458 0.2616 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 0.8869 1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3243 -0.3602 0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0819 2.5456 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2407 1.3466 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9467 2.0042 -2.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3527 0.6412 -1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7528 -0.4057 -1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7696 1.6420 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0735 0.4579 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6177 -1.4334 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0358 -0.2332 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3762 0.6612 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8432 -0.4033 -0.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6983 -1.3211 1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2328 -2.3582 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3008 -1.3066 -1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -0.1423 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0533 -3.1787 0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5337 -2.1391 1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 -2.7590 0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -2.1898 -1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3764 0.1704 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 2.4105 -1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6772 3.8288 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6051 1.1157 1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5726 -1.1565 1.5744 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 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 10 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 9 34 1 0 9 35 1 0 11 36 1 0 12 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 M END