HMDB0032322 RDKit 3D Leucopelargonidin 35 37 0 0 0 0 0 0 0 0999 V2000 -6.0782 -0.6867 -0.6212 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7329 -0.4045 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2666 0.8882 -0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9051 1.1378 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0078 0.1411 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5802 0.3011 0.2143 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1282 -0.6179 -0.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4885 -0.7358 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1997 -1.8926 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 -2.0113 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 -3.1893 -0.6809 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -0.8896 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5362 0.2819 0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2336 1.3926 0.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1551 0.3657 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 1.6483 0.3124 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7464 1.9721 1.6541 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 1.6502 0.0399 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6479 2.5705 0.8981 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5047 -1.1621 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8275 -1.4197 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3892 -1.6472 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9754 1.6841 -0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 2.1607 -0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 0.0140 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -2.7425 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -3.9852 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3066 -0.9242 0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2242 1.3767 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9725 2.4736 -0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 1.1711 2.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1644 2.0543 -0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2717 3.4750 0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8485 -2.0114 0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1935 -2.4391 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 5 20 1 0 20 21 2 0 21 2 1 0 18 6 1 0 15 8 1 0 1 22 1 0 3 23 1 0 4 24 1 0 6 25 1 1 9 26 1 0 11 27 1 0 12 28 1 0 14 29 1 0 16 30 1 6 17 31 1 0 18 32 1 6 19 33 1 0 20 34 1 0 21 35 1 0 M END