KEGG:C12644 Pelargonidin 3-O-rutinoside ISISHOST11090423392D 1 1.00000 0.00000 15541 41 45 0 1 0 999 V2000 22.7693 -49.2829 0.0000 C 0 0 0 0 0 0 0 0 0 22.7658 -50.1036 0.0000 C 0 0 0 0 0 0 0 0 0 23.4831 -48.8794 0.0000 C 0 0 0 0 0 0 0 0 0 22.0658 -48.8656 0.0000 O 0 3 0 0 0 0 0 0 0 22.0589 -50.5070 0.0000 C 0 0 0 0 0 0 0 0 0 23.5693 -50.5622 0.0000 O 0 0 0 0 0 0 0 0 0 24.1831 -49.2932 0.0000 C 0 0 0 0 0 0 0 0 0 23.4831 -48.0656 0.0000 C 0 0 0 0 0 0 0 0 0 21.3520 -49.2760 0.0000 C 0 0 0 0 0 0 0 0 0 21.3486 -50.1001 0.0000 C 0 0 0 0 0 0 0 0 0 24.3589 -51.0932 0.0000 C 0 0 2 0 0 0 0 0 0 24.8900 -48.8898 0.0000 C 0 0 0 0 0 0 0 0 0 24.1934 -47.6622 0.0000 C 0 0 0 0 0 0 0 0 0 20.6417 -48.8622 0.0000 C 0 0 0 0 0 0 0 0 0 20.6417 -50.5036 0.0000 C 0 0 0 0 0 0 0 0 0 24.3314 -51.9105 0.0000 O 0 0 0 0 0 0 0 0 0 25.0831 -50.7105 0.0000 C 0 0 1 0 0 0 0 0 0 24.8969 -48.0760 0.0000 C 0 0 0 0 0 0 0 0 0 19.9314 -49.2760 0.0000 C 0 0 0 0 0 0 0 0 0 19.9314 -50.1001 0.0000 C 0 0 0 0 0 0 0 0 0 20.6417 -51.3277 0.0000 O 0 0 0 0 0 0 0 0 0 25.0245 -52.3449 0.0000 C 0 0 2 0 0 0 0 0 0 25.7762 -51.1449 0.0000 C 0 0 2 0 0 0 0 0 0 25.1141 -49.8967 0.0000 O 0 0 0 0 0 0 0 0 0 25.6072 -47.6691 0.0000 O 0 0 0 0 0 0 0 0 0 19.2210 -48.8622 0.0000 O 0 0 0 0 0 0 0 0 0 24.9934 -53.1587 0.0000 C 0 0 0 0 0 0 0 0 0 25.7452 -51.9622 0.0000 C 0 0 2 0 0 0 0 0 0 26.4969 -50.7622 0.0000 O 0 0 0 0 0 0 0 0 0 24.3107 -53.5380 0.0000 O 0 0 0 0 0 0 0 0 0 26.4348 -52.4001 0.0000 O 0 0 0 0 0 0 0 0 0 23.4934 -53.0346 0.0000 C 0 0 1 0 0 0 0 0 0 22.7727 -53.4139 0.0000 C 0 0 1 0 0 0 0 0 0 23.5245 -52.2174 0.0000 O 0 0 0 0 0 0 0 0 0 22.0865 -52.9794 0.0000 C 0 0 1 0 0 0 0 0 0 22.7451 -54.2277 0.0000 O 0 0 0 0 0 0 0 0 0 22.8314 -51.7829 0.0000 C 0 0 2 0 0 0 0 0 0 22.1141 -52.1691 0.0000 C 0 0 2 0 0 0 0 0 0 21.3624 -53.3656 0.0000 O 0 0 0 0 0 0 0 0 0 22.8624 -50.9656 0.0000 C 0 0 0 0 0 0 0 0 0 21.4176 -51.7346 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 11 6 1 1 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 11 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 2 0 0 0 15 21 1 0 0 0 16 22 1 0 0 0 17 23 1 0 0 0 17 24 1 6 0 0 18 25 1 0 0 0 19 26 1 0 0 0 22 27 1 1 0 0 22 28 1 0 0 0 23 29 1 1 0 0 27 30 1 0 0 0 28 31 1 6 0 0 32 30 1 1 0 0 32 33 1 0 0 0 32 34 1 0 0 0 33 35 1 0 0 0 33 36 1 6 0 0 34 37 1 0 0 0 35 38 1 0 0 0 35 39 1 6 0 0 37 40 1 6 0 0 38 41 1 1 0 0 9 10 2 0 0 0 13 18 1 0 0 0 19 20 1 0 0 0 23 28 1 0 0 0 37 38 1 0 0 0 M CHG 1 4 1 M END