HMDB0037089 RDKit 3D Delphinidin 3-(6-p-coumaroylgalactoside) 71 75 0 0 0 0 0 0 0 0999 V2000 3.3722 -2.8709 0.0285 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 -2.0827 -0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0124 -1.6070 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0855 -1.9559 -0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4242 -1.4738 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4959 -1.9274 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7977 -1.5151 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0322 -0.6334 -1.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3355 -0.1804 -1.7135 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9767 -0.1344 -2.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6857 -0.5878 -1.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5948 -1.6191 -1.6898 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2523 -1.9460 -1.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6743 -1.5231 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -1.7910 -0.0851 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -1.2414 1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2702 -0.3797 0.5632 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3244 0.2908 0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6674 0.3351 2.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7532 1.0467 2.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 1.1193 4.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2949 0.4063 5.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1895 1.8328 4.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9667 2.5220 3.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0324 3.2209 4.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6166 2.4457 2.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5404 1.7343 1.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2139 1.6751 0.6409 O 0 0 0 0 0 3 0 0 0 0 0 0 -4.1589 0.9903 0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 1.0419 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9528 0.5412 -1.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8981 0.5639 -3.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8219 0.0407 -4.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9203 1.1098 -4.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9028 1.1554 -5.5313 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0221 1.6433 -3.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9981 2.1671 -4.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0489 1.6080 -2.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 -0.6631 2.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 -1.7506 2.6495 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 0.2151 1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 1.5798 1.6508 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8485 -0.0015 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 0.4220 -0.4887 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1545 -0.9119 -2.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9427 -2.6488 0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3747 -2.6411 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6222 -1.9285 0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8136 -0.7676 -2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1463 0.5462 -2.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 -0.1659 -2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -1.3147 -2.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9721 -2.9828 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3074 -1.9957 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8001 -2.0792 1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1099 -0.2025 3.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 0.4731 6.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4213 1.8442 5.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9289 2.7734 4.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2248 2.9853 1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1089 0.0999 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 -0.3554 -3.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 0.8166 -6.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8281 2.5902 -4.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 2.0143 -1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8813 -0.1453 2.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 -2.4628 2.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 0.0956 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0629 1.6919 2.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0392 0.5113 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 0.3370 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 32 34 2 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 2 0 16 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 11 5 1 0 43 14 1 0 29 18 1 0 38 30 1 0 27 20 1 0 3 45 1 0 4 46 1 0 6 47 1 0 7 48 1 0 9 49 1 0 10 50 1 0 11 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 16 55 1 0 19 56 1 0 22 57 1 0 23 58 1 0 25 59 1 0 26 60 1 0 31 61 1 0 33 62 1 0 35 63 1 0 37 64 1 0 38 65 1 0 39 66 1 0 40 67 1 0 41 68 1 0 42 69 1 0 43 70 1 0 44 71 1 0 M CHG 1 28 1 M END