HMDB0060931 RDKit 3D 2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium (EDDP) 45 47 0 0 0 0 0 0 0 0999 V2000 -2.4435 0.1655 2.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1567 0.3574 1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 -0.1480 0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7736 -0.8402 -0.1423 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.0802 -1.2972 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -1.0955 -1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1828 -1.1341 -2.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 0.1563 -1.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3246 0.1443 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8132 1.5052 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3445 1.9769 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8045 3.2729 1.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 4.1582 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2366 3.7516 -0.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 2.4667 -1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2963 -0.9205 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 -1.4386 1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -2.4447 1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2013 -2.9689 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7343 -2.5001 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -1.4769 -1.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 -0.8732 2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2356 0.8997 2.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2411 0.4656 3.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9686 1.4786 1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 -0.0391 2.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 -0.5087 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6361 -1.6640 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0591 -2.2196 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -1.9719 -1.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 -0.5319 -2.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6882 -0.8014 -3.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 -2.1794 -2.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 0.1400 -2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1345 0.9853 -1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4213 1.3421 2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2126 3.5995 2.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 5.1657 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1985 4.4682 -1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3954 2.2306 -1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 -1.0267 1.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 -2.7923 1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9355 -3.7593 -0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0983 -2.9178 -2.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 -1.1801 -2.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 1 0 6 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 14 15 2 0 9 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 9 3 1 0 15 10 1 0 21 16 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 5 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 M CHG 1 4 1 M END