KEGG:C08968 Phytolaccoside B ISISHOST03240423212D 1 1.00000 0.00000 8008 50 55 0 0 0 999 V2000 2.0916 -14.0791 0.0000 C 0 0 1 0 0 0 0 0 0 2.0896 -14.9042 0.0000 C 0 0 1 0 0 0 0 0 0 1.3720 -13.6635 0.0000 O 0 0 0 0 0 0 0 0 0 1.3768 -15.3188 0.0000 C 0 0 2 0 0 0 0 0 0 2.8092 -15.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0.6515 -14.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0.6554 -14.9062 0.0000 C 0 0 1 0 0 0 0 0 0 1.3730 -16.1469 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0621 -15.3221 0.0000 O 0 0 0 0 0 0 0 0 0 7.1083 -12.0294 0.0000 C 0 0 2 0 0 0 0 0 0 7.1186 -11.2053 0.0000 C 0 0 0 0 0 0 0 0 0 6.3980 -12.4398 0.0000 C 0 0 1 0 0 0 0 0 0 7.8186 -12.4536 0.0000 C 0 0 0 0 0 0 0 0 0 7.1014 -12.8536 0.0000 C 0 0 0 0 0 0 0 0 0 7.8393 -10.8018 0.0000 C 0 0 1 0 0 0 0 0 0 6.4083 -10.7880 0.0000 C 0 0 0 0 0 0 0 0 0 5.6842 -12.0191 0.0000 C 0 0 2 0 0 0 0 0 0 6.3980 -13.2674 0.0000 C 0 0 0 0 0 0 0 0 0 6.3876 -11.6087 0.0000 C 0 0 0 0 0 0 0 0 0 8.5393 -12.0467 0.0000 C 0 0 0 0 0 0 0 0 0 8.5462 -11.2225 0.0000 C 0 0 1 0 0 0 0 0 0 7.8497 -9.9811 0.0000 C 0 0 0 0 0 0 0 0 0 5.6911 -11.1915 0.0000 C 0 0 0 0 0 0 0 0 0 4.9635 -12.4329 0.0000 C 0 0 2 0 0 0 0 0 0 5.6773 -13.6777 0.0000 C 0 0 0 0 0 0 0 0 0 9.2669 -10.8225 0.0000 C 0 0 0 0 0 0 0 0 0 9.2600 -11.6363 0.0000 C 0 0 0 0 0 0 0 0 0 8.5704 -9.5742 0.0000 C 0 0 2 0 0 0 0 0 0 4.9600 -13.2639 0.0000 C 0 0 1 0 0 0 0 0 0 4.2462 -12.0156 0.0000 C 0 0 0 0 0 0 0 0 0 4.9566 -11.6053 0.0000 C 0 0 0 0 0 0 0 0 0 9.2773 -9.9984 0.0000 C 0 0 0 0 0 0 0 0 0 9.9773 -11.2156 0.0000 O 0 0 0 0 0 0 0 0 0 9.2566 -12.4674 0.0000 O 0 0 0 0 0 0 0 0 0 4.2462 -13.6743 0.0000 C 0 0 1 0 0 0 0 0 0 3.5255 -12.4329 0.0000 C 0 0 1 0 0 0 0 0 0 3.5255 -13.2639 0.0000 C 0 0 2 0 0 0 0 0 0 4.4566 -14.4743 0.0000 C 0 0 0 0 0 0 0 0 0 3.8221 -14.3915 0.0000 C 0 0 0 0 0 0 0 0 0 2.8083 -12.0156 0.0000 O 0 0 0 0 0 0 0 0 0 2.8083 -13.6743 0.0000 O 0 0 0 0 0 0 0 0 0 7.8324 -11.6260 0.0000 H 0 0 0 0 0 0 0 0 0 5.6773 -12.8432 0.0000 H 0 0 0 0 0 0 0 0 0 4.9531 -14.0880 0.0000 H 0 0 0 0 0 0 0 0 0 8.9750 -8.8541 0.0000 C 0 0 0 0 0 0 0 0 0 8.1500 -8.8541 0.0000 C 0 0 0 0 0 0 0 0 0 8.7583 -8.0541 0.0000 O 0 0 0 0 0 0 0 0 0 9.8000 -8.8541 0.0000 O 0 0 0 0 0 0 0 0 0 10.2083 -9.5666 0.0000 C 0 0 0 0 0 0 0 0 0 4.8625 -15.1833 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 1 6 0 0 3 6 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 10 14 1 6 0 0 11 15 1 0 0 0 11 16 2 0 0 0 12 17 1 0 0 0 12 18 1 0 0 0 12 19 1 1 0 0 13 20 1 0 0 0 15 21 1 0 0 0 15 22 1 0 0 0 16 23 1 0 0 0 17 24 1 0 0 0 18 25 1 0 0 0 21 26 1 0 0 0 21 27 1 1 0 0 22 28 1 0 0 0 24 29 1 0 0 0 24 30 1 0 0 0 24 31 1 1 0 0 26 32 1 0 0 0 27 33 1 0 0 0 27 34 2 0 0 0 29 35 1 0 0 0 30 36 1 0 0 0 35 37 1 0 0 0 35 38 1 6 0 0 35 39 1 1 0 0 36 40 1 1 0 0 37 41 1 1 0 0 17 23 1 0 0 0 20 21 1 0 0 0 25 29 1 0 0 0 28 32 1 0 0 0 36 37 1 0 0 0 15 42 1 1 0 0 17 43 1 6 0 0 29 44 1 6 0 0 1 41 1 1 0 0 4 7 1 0 0 0 28 45 1 1 0 0 4 8 1 1 0 0 28 46 1 6 0 0 7 9 1 6 0 0 45 47 2 0 0 0 6 7 1 0 0 0 45 48 1 0 0 0 48 49 1 0 0 0 38 50 1 0 0 0 M END