HMDB0244325 RDKit 3D Monoisononyl phthalate 45 45 0 0 0 0 0 0 0 0999 V2000 5.6915 -1.1459 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 -0.2071 1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2389 1.1944 0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7219 -0.5611 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7531 -0.5606 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 -0.9201 0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 -0.9375 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3556 0.4143 -1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 0.3577 -2.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 -0.0037 -1.6795 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6124 0.7950 -0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0226 1.8289 -0.4446 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8939 0.2754 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3619 -0.9413 -0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5662 -1.4785 -0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3764 -0.8208 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9414 0.3684 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 0.9367 0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3586 2.2014 1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3567 2.8811 0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2964 2.7748 2.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 -2.2074 0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7983 -1.0951 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3126 -0.9604 -0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7522 -0.2674 2.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 1.8894 1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9507 1.3092 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3181 1.4808 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 0.1765 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 -1.5507 1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 0.4045 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0782 -1.3388 -0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 -0.1990 1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 -1.9333 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 -1.6955 -1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 -1.2816 -0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1329 1.1868 -0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3352 0.6768 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6575 1.3350 -2.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2737 -0.3859 -2.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 -1.4526 -1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8366 -2.4381 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3378 -1.2631 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5960 0.8965 1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4439 2.2621 2.9125 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 18 13 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 21 45 1 0 M END