HMDB0003074 RDKit 3D Delphinidin 33 35 0 0 0 0 0 0 0 0999 V2000 -5.1294 2.2948 0.6447 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2751 1.2515 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8323 0.0428 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9655 -1.0136 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4923 -2.2231 -0.7257 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 -0.8326 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7082 -1.8379 -0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3347 -1.5793 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.6217 -0.8902 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.3530 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5587 -0.0153 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6041 -0.8497 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -0.4514 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 -1.3582 -0.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2492 0.8223 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5457 1.3013 0.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 1.6863 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 2.9953 0.7799 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8861 1.2890 0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7714 0.5712 0.0853 O 0 0 0 0 0 3 0 0 0 0 0 0 -2.0551 0.3968 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 1.4570 0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8098 3.2121 0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9126 -0.1011 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0197 -3.0586 -0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0662 -2.8250 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1903 -3.5367 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4132 -1.8486 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9123 -1.1822 -0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 0.7119 0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4281 3.2831 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0632 1.9641 0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4789 2.4084 0.6554 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 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 10 20 2 0 20 21 1 0 21 22 2 0 22 2 1 0 21 6 1 0 19 11 1 0 1 23 1 0 3 24 1 0 5 25 1 0 7 26 1 0 9 27 1 0 12 28 1 0 14 29 1 0 16 30 1 0 18 31 1 0 19 32 1 0 22 33 1 0 M CHG 1 20 1 M END