KEGG:C12641 4'''-Demalonylsalvianin ISISHOST11090423392D 1 1.00000 0.00000 15538 60 65 0 1 0 999 V2000 33.3132 -23.3387 0.0000 C 0 0 0 0 0 0 0 0 0 32.5953 -23.7525 0.0000 O 0 0 0 0 0 0 0 0 0 32.5874 -24.5792 0.0000 C 0 0 0 0 0 0 0 0 0 31.8649 -24.9890 0.0000 C 0 0 0 0 0 0 0 0 0 33.3020 -25.0026 0.0000 O 0 0 0 0 0 0 0 0 0 31.8582 -25.8167 0.0000 C 0 0 0 0 0 0 0 0 0 31.1363 -26.2234 0.0000 C 0 0 0 0 0 0 0 0 0 30.4293 -25.8037 0.0000 C 0 0 0 0 0 0 0 0 0 29.7074 -26.2105 0.0000 C 0 0 0 0 0 0 0 0 0 29.7008 -27.0396 0.0000 C 0 0 0 0 0 0 0 0 0 30.4160 -27.4620 0.0000 C 0 0 0 0 0 0 0 0 0 31.1338 -27.0511 0.0000 C 0 0 0 0 0 0 0 0 0 28.9788 -27.4505 0.0000 O 0 0 0 0 0 0 0 0 0 28.3847 -22.0975 0.0000 C 0 0 2 0 0 0 0 0 0 27.6684 -21.6845 0.0000 O 0 0 0 0 0 0 0 0 0 26.9497 -22.0970 0.0000 C 0 0 1 0 0 0 0 0 0 26.9497 -22.9261 0.0000 C 0 0 2 0 0 0 0 0 0 27.6684 -23.3428 0.0000 C 0 0 1 0 0 0 0 0 0 28.3870 -22.9261 0.0000 C 0 0 1 0 0 0 0 0 0 29.1062 -23.3418 0.0000 O 0 0 0 0 0 0 0 0 0 27.6684 -24.1720 0.0000 O 0 0 0 0 0 0 0 0 0 26.2311 -23.3428 0.0000 O 0 0 0 0 0 0 0 0 0 26.2311 -21.6845 0.0000 C 0 0 0 0 0 0 0 0 0 31.1593 -19.5972 0.0000 C 0 0 0 0 0 0 0 0 0 31.1558 -20.4289 0.0000 C 0 0 0 0 0 0 0 0 0 31.8842 -19.1834 0.0000 C 0 0 0 0 0 0 0 0 0 30.4455 -19.1765 0.0000 O 0 3 0 0 0 0 0 0 0 31.8117 -20.8089 0.0000 O 0 0 0 0 0 0 0 0 0 30.4386 -20.8434 0.0000 C 0 0 0 0 0 0 0 0 0 32.6056 -19.6006 0.0000 C 0 0 0 0 0 0 0 0 0 31.8842 -18.3482 0.0000 C 0 0 0 0 0 0 0 0 0 29.7207 -19.5903 0.0000 C 0 0 0 0 0 0 0 0 0 32.5918 -21.2641 0.0000 C 0 0 2 0 0 0 0 0 0 29.7172 -20.4220 0.0000 C 0 0 0 0 0 0 0 0 0 33.3304 -19.1868 0.0000 C 0 0 0 0 0 0 0 0 0 32.6091 -17.9302 0.0000 C 0 0 0 0 0 0 0 0 0 28.9992 -19.1731 0.0000 C 0 0 0 0 0 0 0 0 0 32.5918 -22.0924 0.0000 O 0 0 0 0 0 0 0 0 0 33.3132 -20.8503 0.0000 C 0 0 1 0 0 0 0 0 0 28.9992 -20.8400 0.0000 C 0 0 0 0 0 0 0 0 0 33.3338 -18.3516 0.0000 C 0 0 0 0 0 0 0 0 0 28.2778 -19.5903 0.0000 C 0 0 0 0 0 0 0 0 0 33.3132 -22.5103 0.0000 C 0 0 1 0 0 0 0 0 0 34.0277 -21.2641 0.0000 C 0 0 2 0 0 0 0 0 0 33.3132 -20.0220 0.0000 O 0 0 0 0 0 0 0 0 0 28.2778 -20.4220 0.0000 C 0 0 0 0 0 0 0 0 0 34.0518 -17.9371 0.0000 O 0 0 0 0 0 0 0 0 0 27.5599 -19.1800 0.0000 O 0 0 0 0 0 0 0 0 0 34.0277 -22.0924 0.0000 C 0 0 2 0 0 0 0 0 0 34.7491 -20.8503 0.0000 O 0 0 0 0 0 0 0 0 0 34.7491 -22.5069 0.0000 O 0 0 0 0 0 0 0 0 0 29.0001 -21.6692 0.0000 O 0 0 0 0 0 0 0 0 0 25.5166 -22.0969 0.0000 O 0 0 0 0 0 0 0 0 0 30.4104 -28.2869 0.0000 O 0 0 0 0 0 0 0 0 0 24.8022 -21.6843 0.0000 C 0 0 0 0 0 0 0 0 0 24.0877 -22.0967 0.0000 C 0 0 0 0 0 0 0 0 0 24.8023 -20.8593 0.0000 O 0 0 0 0 0 0 0 0 0 23.3732 -21.6841 0.0000 C 0 0 0 0 0 0 0 0 0 22.6587 -22.0965 0.0000 O 0 0 0 0 0 0 0 0 0 23.3733 -20.8591 0.0000 O 0 0 0 0 0 0 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 10 13 1 0 0 0 53 55 1 0 0 0 6 7 1 0 0 0 55 56 1 0 0 0 1 2 1 0 0 0 55 57 2 0 0 0 2 3 1 0 0 0 56 58 1 0 0 0 3 4 1 0 0 0 58 59 2 0 0 0 3 5 2 0 0 0 58 60 1 0 0 0 M CHG 1 27 1 M END