HMDB0041170 RDKit 3D Pelargonidin 5-galactoside 52 55 0 0 0 0 0 0 0 0999 V2000 -5.4209 1.2302 2.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5865 -0.0304 1.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9015 -0.0261 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5668 0.2719 0.5515 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 0.5913 -0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 0.3742 -0.4007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4919 1.2697 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6072 2.6189 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5286 3.4283 -0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 4.7912 -0.8422 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 2.9318 -0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9028 1.5639 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0886 1.1004 0.0809 O 0 0 0 0 0 3 0 0 0 0 0 0 3.3522 -0.1887 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7325 -0.5895 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7175 0.4205 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0412 0.1690 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4784 -1.0902 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8093 -1.3739 1.1945 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5488 -2.0960 1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1896 -1.8380 0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -1.0275 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 -2.3766 0.5308 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9629 -0.5679 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 0.7543 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3166 -0.2281 -1.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2268 0.5384 -2.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9964 -1.5089 -1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9716 -2.3872 -0.9905 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9674 -1.4072 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6786 -2.3030 0.7551 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1754 1.7906 1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6704 -0.2589 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1544 -0.8364 2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3787 0.6965 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0607 1.6626 -0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 3.0270 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1057 5.3583 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 3.5817 -0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4147 1.4351 0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7651 0.9822 0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3886 -1.6079 0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8813 -3.1027 1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5263 -2.6563 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -2.9933 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 -1.2653 0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4439 -0.4253 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 0.3886 -3.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4873 -1.9377 -2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4309 -3.1942 -0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0017 -1.6118 -0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7922 -2.0478 1.0953 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 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 14 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 5 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 3 1 0 25 7 1 0 25 12 1 0 21 15 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 5 36 1 0 8 37 1 0 10 38 1 0 11 39 1 0 16 40 1 0 17 41 1 0 19 42 1 0 20 43 1 0 21 44 1 0 23 45 1 0 24 46 1 0 26 47 1 0 27 48 1 0 28 49 1 0 29 50 1 0 30 51 1 0 31 52 1 0 M CHG 1 13 1 M END