CDK 1030232203 22 25 0 0 0 0 0 0 0 0999 V2000 -0.0204 1.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5886 2.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 2.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0533 3.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 3.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 4.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1273 4.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4464 2.6273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6237 2.6890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9111 3.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7305 4.1139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2658 3.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5531 4.0522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 16 14 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 6 0 0 0 16 19 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 10 13 1 0 0 0 0 12 15 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 6 0 0 0 M END > CHEBI:223227 > Piperazinomycin > 2 > (3S,6S)-13-oxa-4,20-diazatetracyclo[12.2.2.23,6.18,12]henicosa-1(16),8(19),9,11,14,17-hexaen-11-ol > C18H20N2O2 > 296.370 > 296.15248 > 0 > O1C2=C(O)C=CC(=C2)C[C@@H]3NC[C@H](CC4=CC=C1C=C4)NC3 > InChI=1S/C18H20N2O2/c21-17-6-3-13-8-15-11-19-14(10-20-15)7-12-1-4-16(5-2-12)22-18(17)9-13/h1-6,9,14-15,19-21H,7-8,10-11H2/t14-,15-/m0/s1 > UOLONRFQMXQQFB-GJZGRUSLSA-N $$$$