KEGG:C12642 Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside) ISISHOST11090423392D 1 1.00000 0.00000 15539 37 40 0 1 0 999 V2000 -1.0448 -48.6096 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0483 -49.4372 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3241 -48.1958 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7586 -48.1889 0.0000 O 0 3 0 0 0 0 0 0 0 -0.3966 -49.8130 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7655 -49.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0.3931 -48.6130 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3241 -47.3648 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4793 -48.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0.3793 -50.2682 0.0000 C 0 0 2 0 0 0 0 0 0 -2.4828 -49.4303 0.0000 C 0 0 0 0 0 0 0 0 0 1.1138 -48.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0.3966 -46.9510 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1966 -48.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0.3793 -51.0923 0.0000 O 0 0 0 0 0 0 0 0 0 1.0966 -49.8544 0.0000 C 0 0 1 0 0 0 0 0 0 -3.1966 -49.8441 0.0000 C 0 0 0 0 0 0 0 0 0 1.1172 -47.3682 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9138 -48.6027 0.0000 C 0 0 0 0 0 0 0 0 0 1.0966 -51.5061 0.0000 C 0 0 1 0 0 0 0 0 0 1.8069 -50.2682 0.0000 C 0 0 2 0 0 0 0 0 0 1.0966 -49.0303 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9138 -49.4303 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1966 -50.6682 0.0000 O 0 0 0 0 0 0 0 0 0 1.8310 -46.9579 0.0000 O 0 0 0 0 0 0 0 0 0 -4.6276 -48.1924 0.0000 O 0 0 0 0 0 0 0 0 0 1.8069 -51.0923 0.0000 C 0 0 2 0 0 0 0 0 0 1.0966 -52.3303 0.0000 C 0 0 0 0 0 0 0 0 0 2.5241 -49.8544 0.0000 O 0 0 0 0 0 0 0 0 0 2.5241 -51.5027 0.0000 O 0 0 0 0 0 0 0 0 0 0.3828 -52.7441 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3324 -52.3329 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0462 -52.7466 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7614 -52.3354 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3339 -51.5079 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7628 -51.5104 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4751 -52.7492 0.0000 O 0 0 0 0 0 0 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 10 5 1 1 0 0 6 11 1 0 0 0 7 12 1 0 0 0 8 13 2 0 0 0 9 14 1 0 0 0 10 15 1 0 0 0 10 16 1 0 0 0 11 17 1 0 0 0 12 18 2 0 0 0 14 19 2 0 0 0 15 20 1 0 0 0 16 21 1 0 0 0 16 22 1 6 0 0 17 23 2 0 0 0 17 24 1 0 0 0 18 25 1 0 0 0 19 26 1 0 0 0 20 27 1 0 0 0 20 28 1 1 0 0 21 29 1 1 0 0 27 30 1 6 0 0 28 31 1 0 0 0 9 11 2 0 0 0 13 18 1 0 0 0 19 23 1 0 0 0 21 27 1 0 0 0 31 32 1 0 0 0 1 2 1 0 0 0 32 33 1 0 0 0 1 3 1 0 0 0 33 34 1 0 0 0 1 4 2 0 0 0 32 35 2 0 0 0 2 5 1 0 0 0 34 36 1 0 0 0 2 6 2 0 0 0 34 37 2 0 0 0 M CHG 1 4 1 M END