CDK 1030232200 23 25 0 0 0 0 0 0 0 0999 V2000 4.2868 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0405 0.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5925 1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 2.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 1.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0141 2.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 3.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 3.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 3.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 3.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1379 4.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 6 3 1 1 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 22 23 1 0 0 0 0 7 8 1 0 0 0 0 12 14 1 0 0 0 0 19 22 1 0 0 0 0 M END > CHEBI:209556 > Penicidone B > 2 > 5-[(1R)-5-hydroxy-7-methoxy-3-oxo-1H-2-benzouran-1-yl]-2-[(E)-prop-1-enyl]-1H-pyridin-4-one > C17H15NO5 > 313.309 > 313.09502 > 0 > O=C1C(=CNC(=C1)/C=C/C)[C@@H]2OC(=O)C=3C2=C(OC)C=C(O)C3 > InChI=1S/C17H15NO5/c1-3-4-9-5-13(20)12(8-18-9)16-15-11(17(21)23-16)6-10(19)7-14(15)22-2/h3-8,16,19H,1-2H3,(H,18,20)/b4-3+/t16-/m0/s1 > NVUHVZUPJHEJGT-CWDCEQMOSA-N $$$$