KEGG:C10071 1-Isomangostin ISISHOST03240423242D 1 1.00000 0.00000 9113 30 33 0 0 0 999 V2000 -0.8034 0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5138 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8000 1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0897 0.0483 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2345 0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5138 -0.7793 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0828 1.7069 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5138 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0.6276 0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0931 -0.7793 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2345 1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9552 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2345 -1.1966 0.0000 C 0 0 3 0 0 0 0 0 0 0.6345 1.2897 0.0000 C 0 0 0 0 0 0 0 0 0 1.3379 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9552 1.7103 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9552 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8276 -1.7793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8276 -1.9103 0.0000 C 0 0 0 0 0 0 0 0 0 1.3552 1.6965 0.0000 C 0 0 0 0 0 0 0 0 0 2.0586 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 1.3310 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 2.0690 1.2759 0.0000 C 0 0 0 0 0 0 0 0 0 2.7759 0.0276 0.0000 O 0 0 0 0 0 0 0 0 0 2.0483 -1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 2.7897 1.6862 0.0000 O 0 0 0 0 0 0 0 0 0 3.4966 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 2.0379 -2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 2.7552 -2.4586 0.0000 C 0 0 0 0 0 0 0 0 0 1.3172 -2.4448 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 4 10 2 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 7 14 1 0 0 0 9 15 1 0 0 0 11 16 1 0 0 0 12 17 1 0 0 0 13 18 1 0 0 0 13 19 1 0 0 0 14 20 1 0 0 0 15 21 2 0 0 0 15 22 1 0 0 0 20 23 2 0 0 0 21 24 1 0 0 0 22 25 1 0 0 0 23 26 1 0 0 0 24 27 1 0 0 0 25 28 2 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 8 11 2 0 0 0 9 14 2 0 0 0 13 17 1 0 0 0 21 23 1 0 0 0 M END