KEGG:C12640 Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside ISISHOST11090423392D 1 1.00000 0.00000 15537 54 59 0 1 0 999 V2000 16.4132 -23.5053 0.0000 C 0 0 0 0 0 0 0 0 0 15.6953 -23.9191 0.0000 O 0 0 0 0 0 0 0 0 0 15.6874 -24.7458 0.0000 C 0 0 0 0 0 0 0 0 0 14.9649 -25.1556 0.0000 C 0 0 0 0 0 0 0 0 0 16.4020 -25.1692 0.0000 O 0 0 0 0 0 0 0 0 0 14.9582 -25.9833 0.0000 C 0 0 0 0 0 0 0 0 0 14.2363 -26.3900 0.0000 C 0 0 0 0 0 0 0 0 0 13.5293 -25.9703 0.0000 C 0 0 0 0 0 0 0 0 0 12.8074 -26.3771 0.0000 C 0 0 0 0 0 0 0 0 0 12.8008 -27.2062 0.0000 C 0 0 0 0 0 0 0 0 0 13.5160 -27.6286 0.0000 C 0 0 0 0 0 0 0 0 0 14.2338 -27.2177 0.0000 C 0 0 0 0 0 0 0 0 0 12.0788 -27.6171 0.0000 O 0 0 0 0 0 0 0 0 0 11.4847 -22.2641 0.0000 C 0 0 2 0 0 0 0 0 0 10.7684 -21.8511 0.0000 O 0 0 0 0 0 0 0 0 0 10.0497 -22.2636 0.0000 C 0 0 1 0 0 0 0 0 0 10.0497 -23.0927 0.0000 C 0 0 2 0 0 0 0 0 0 10.7684 -23.5094 0.0000 C 0 0 1 0 0 0 0 0 0 11.4870 -23.0927 0.0000 C 0 0 1 0 0 0 0 0 0 12.2062 -23.5084 0.0000 O 0 0 0 0 0 0 0 0 0 10.7684 -24.3386 0.0000 O 0 0 0 0 0 0 0 0 0 9.3311 -23.5094 0.0000 O 0 0 0 0 0 0 0 0 0 9.3311 -21.8511 0.0000 C 0 0 0 0 0 0 0 0 0 14.2593 -19.7638 0.0000 C 0 0 0 0 0 0 0 0 0 14.2558 -20.5955 0.0000 C 0 0 0 0 0 0 0 0 0 14.9842 -19.3500 0.0000 C 0 0 0 0 0 0 0 0 0 13.5455 -19.3431 0.0000 O 0 3 0 0 0 0 0 0 0 14.9117 -20.9755 0.0000 O 0 0 0 0 0 0 0 0 0 13.5386 -21.0100 0.0000 C 0 0 0 0 0 0 0 0 0 15.7056 -19.7672 0.0000 C 0 0 0 0 0 0 0 0 0 14.9842 -18.5148 0.0000 C 0 0 0 0 0 0 0 0 0 12.8207 -19.7569 0.0000 C 0 0 0 0 0 0 0 0 0 15.6918 -21.4307 0.0000 C 0 0 2 0 0 0 0 0 0 12.8172 -20.5886 0.0000 C 0 0 0 0 0 0 0 0 0 16.4304 -19.3534 0.0000 C 0 0 0 0 0 0 0 0 0 15.7091 -18.0968 0.0000 C 0 0 0 0 0 0 0 0 0 12.0992 -19.3397 0.0000 C 0 0 0 0 0 0 0 0 0 15.6918 -22.2590 0.0000 O 0 0 0 0 0 0 0 0 0 16.4132 -21.0169 0.0000 C 0 0 1 0 0 0 0 0 0 12.0992 -21.0066 0.0000 C 0 0 0 0 0 0 0 0 0 16.4338 -18.5182 0.0000 C 0 0 0 0 0 0 0 0 0 11.3778 -19.7569 0.0000 C 0 0 0 0 0 0 0 0 0 16.4132 -22.6769 0.0000 C 0 0 1 0 0 0 0 0 0 17.1277 -21.4307 0.0000 C 0 0 2 0 0 0 0 0 0 16.4132 -20.1886 0.0000 O 0 0 0 0 0 0 0 0 0 11.3778 -20.5886 0.0000 C 0 0 0 0 0 0 0 0 0 17.1518 -18.1037 0.0000 O 0 0 0 0 0 0 0 0 0 10.6599 -19.3466 0.0000 O 0 0 0 0 0 0 0 0 0 17.1277 -22.2590 0.0000 C 0 0 2 0 0 0 0 0 0 17.8491 -21.0169 0.0000 O 0 0 0 0 0 0 0 0 0 17.8491 -22.6735 0.0000 O 0 0 0 0 0 0 0 0 0 12.1001 -21.8358 0.0000 O 0 0 0 0 0 0 0 0 0 8.6166 -22.2635 0.0000 O 0 0 0 0 0 0 0 0 0 13.5104 -28.4536 0.0000 O 0 0 0 0 0 0 0 0 0 10 13 1 0 0 0 6 7 1 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 5 2 0 0 0 4 6 2 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 30 35 1 0 0 0 31 36 2 0 0 0 32 37 1 0 0 0 33 38 1 0 0 0 33 39 1 0 0 0 34 40 1 0 0 0 35 41 2 0 0 0 37 42 2 0 0 0 38 43 1 0 0 0 39 44 1 0 0 0 39 45 1 6 0 0 40 46 2 0 0 0 41 47 1 0 0 0 42 48 1 0 0 0 43 49 1 0 0 0 43 1 1 1 0 0 44 50 1 1 0 0 49 51 1 6 0 0 32 34 2 0 0 0 36 41 1 0 0 0 42 46 1 0 0 0 44 49 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 2 0 0 0 25 28 1 0 0 0 25 29 2 0 0 0 26 30 2 0 0 0 26 31 1 0 0 0 27 32 1 0 0 0 33 28 1 1 0 0 29 34 1 0 0 0 19 20 1 6 0 0 40 52 1 0 0 0 18 21 1 1 0 0 17 22 1 6 0 0 16 23 1 1 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 14 1 0 0 0 14 52 1 1 0 0 23 53 1 0 0 0 11 54 1 0 0 0 M CHG 1 27 1 M END