HMDB0002708 RDKit 3D Cyanidin 32 34 0 0 0 0 0 0 0 0999 V2000 -4.2955 3.1062 -0.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6302 1.9102 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3926 0.7757 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8213 -0.4786 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6229 -1.5956 0.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4592 -0.5716 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8205 -1.7695 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 -1.7516 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2054 -2.9377 0.6163 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2874 -0.6017 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7466 -0.4882 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -1.4911 0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0212 -1.2506 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 0.0163 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9043 0.2563 0.5217 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6431 1.0486 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1751 2.3182 0.0971 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3025 0.7870 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 0.4909 0.0615 O 0 0 0 0 0 3 0 0 0 0 0 0 -1.6833 0.5714 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2675 1.8254 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8375 3.9923 -0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4783 0.7872 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3659 -2.5313 0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3809 -2.6812 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3172 -3.7848 0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 -2.4921 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6877 -2.0831 0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.1923 0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 3.0903 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 1.6329 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 2.7078 -0.3529 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 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 10 19 2 0 19 20 1 0 20 21 2 0 21 2 1 0 20 6 1 0 18 11 1 0 1 22 1 0 3 23 1 0 5 24 1 0 7 25 1 0 9 26 1 0 12 27 1 0 13 28 1 0 15 29 1 0 17 30 1 0 18 31 1 0 21 32 1 0 M CHG 1 19 1 M END