KEGG:C10002 Crenatine A ISISHOST03240423242D 1 1.00000 0.00000 9044 43 46 0 1 0 999 V2000 8.2242 -6.7104 0.0000 C 0 0 2 0 0 0 0 0 0 8.9117 -6.3104 0.0000 C 0 0 0 0 0 0 0 0 0 9.5992 -6.7063 0.0000 N 0 0 0 0 0 0 0 0 0 10.2909 -6.3063 0.0000 C 0 0 1 0 0 0 0 0 0 10.9784 -6.7021 0.0000 C 0 0 0 0 0 0 0 0 0 11.6659 -6.3021 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 8.6204 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 9.3074 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 9.3074 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 8.6204 -3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 9.9971 -3.4089 0.0000 C 0 0 0 0 0 0 0 0 0 7.2357 -5.0004 0.0000 O 0 0 0 0 0 0 0 0 0 7.2362 -6.1379 0.0000 C 0 0 2 0 0 0 0 0 0 10.9863 -3.9802 0.0000 C 0 0 0 0 0 0 0 0 0 10.9847 -5.1202 0.0000 N 0 0 0 0 0 0 0 0 0 10.2891 -5.5104 0.0000 C 0 0 0 0 0 0 0 0 0 8.9099 -5.5146 0.0000 O 0 0 0 0 0 0 0 0 0 9.5979 -5.1062 0.0000 O 0 0 0 0 0 0 0 0 0 8.2249 -7.5062 0.0000 N 0 0 0 0 0 0 0 0 0 6.5444 -6.5403 0.0000 C 0 0 0 0 0 0 0 0 0 8.9147 -7.9057 0.0000 C 0 0 0 0 0 0 0 0 0 9.6038 -7.5051 0.0000 O 0 0 0 0 0 0 0 0 0 5.8558 -6.1385 0.0000 C 0 0 0 0 0 0 0 0 0 5.1640 -6.5410 0.0000 C 0 0 0 0 0 0 0 0 0 5.1649 -7.3400 0.0000 C 0 0 0 0 0 0 0 0 0 5.8577 -7.7408 0.0000 C 0 0 0 0 0 0 0 0 0 6.5495 -7.3384 0.0000 C 0 0 0 0 0 0 0 0 0 7.2333 -6.9375 0.0000 H 0 0 0 0 0 0 0 0 0 12.3505 -6.7025 0.0000 C 0 0 0 0 0 0 0 0 0 13.0380 -6.3025 0.0000 C 0 0 0 0 0 0 0 0 0 13.0371 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 12.3486 -5.1101 0.0000 C 0 0 0 0 0 0 0 0 0 11.6611 -5.5101 0.0000 C 0 0 0 0 0 0 0 0 0 8.9153 -8.7015 0.0000 C 0 0 1 0 0 0 0 0 0 8.2262 -9.0979 0.0000 N 0 0 3 0 0 0 0 0 0 9.6051 -9.0968 0.0000 C 0 0 0 0 0 0 0 0 0 8.2268 -9.8979 0.0000 C 0 0 0 0 0 0 0 0 0 7.5364 -8.7026 0.0000 C 0 0 0 0 0 0 0 0 0 9.6058 -9.8968 0.0000 C 0 0 3 0 0 0 0 0 0 8.9166 -10.2932 0.0000 C 0 0 0 0 0 0 0 0 0 10.2997 -10.2921 0.0000 C 0 0 0 0 0 0 0 0 0 1 21 1 1 0 0 10 11 2 0 0 0 15 22 1 0 0 0 11 12 1 0 0 0 21 23 1 0 0 0 12 7 2 0 0 0 23 24 2 0 0 0 1 2 1 0 0 0 11 13 1 0 0 0 3 4 1 0 0 0 8 14 1 0 0 0 22 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 22 1 0 0 0 14 15 1 0 0 0 15 30 1 6 0 0 4 5 1 6 0 0 13 16 2 0 0 0 15 1 1 0 0 0 2 3 1 0 0 0 16 17 1 0 0 0 6 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 35 6 1 0 0 0 5 6 1 0 0 0 23 36 1 0 0 0 4 18 1 0 0 0 36 37 1 6 0 0 18 17 1 0 0 0 36 38 1 0 0 0 7 8 1 0 0 0 37 39 1 0 0 0 2 19 2 0 0 0 37 40 1 0 0 0 8 9 2 0 0 0 38 41 1 0 0 0 18 20 2 0 0 0 41 42 1 0 0 0 9 10 1 0 0 0 41 43 1 0 0 0 M END