KEGG:C04844 3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate ISISHOST04270423112D 1 1.00000 0.00000 4194 27 28 0 1 0 999 V2000 5.4528 -6.8748 0.0000 C 0 0 2 0 0 0 0 0 0 5.4493 -6.0783 0.0000 C 0 0 1 0 0 0 0 0 0 4.7737 -7.2701 0.0000 C 0 0 1 0 0 0 0 0 0 6.8363 -6.8748 0.0000 C 0 0 0 0 0 0 0 0 0 6.1359 -5.6760 0.0000 C 0 0 0 0 0 0 0 0 0 4.7626 -5.6863 0.0000 C 0 0 0 0 0 0 0 0 0 5.4407 -5.2644 0.0000 C 0 0 0 0 0 0 0 0 0 4.0760 -6.8817 0.0000 C 0 0 0 0 0 0 0 0 0 4.7772 -8.0651 0.0000 C 0 0 0 0 0 0 0 0 0 6.8294 -6.0714 0.0000 C 0 0 0 0 0 0 0 0 0 6.1324 -4.8527 0.0000 O 0 0 0 0 0 0 0 0 0 4.0725 -6.0860 0.0000 C 0 0 0 0 0 0 0 0 0 3.3891 -7.3161 0.0000 O 0 0 0 0 0 0 0 0 0 4.0905 -8.4688 0.0000 C 0 0 0 0 0 0 0 0 0 4.0836 -9.2603 0.0000 C 0 0 0 0 0 0 0 0 0 3.3962 -9.6557 0.0000 C 0 0 0 0 0 0 0 0 0 3.4031 -10.4549 0.0000 C 0 0 0 0 0 0 0 0 0 5.4493 -7.6980 0.0000 H 0 0 0 0 0 0 0 0 0 4.7661 -6.4434 0.0000 H 0 0 0 0 0 0 0 0 0 4.7927 -9.6706 0.0000 O 0 0 0 0 0 0 0 0 0 2.6835 -9.2515 0.0000 C 0 0 0 0 0 0 0 0 0 4.1211 -10.8613 0.0000 C 0 0 0 0 0 0 0 0 0 4.1282 -11.6821 0.0000 C 0 0 0 0 0 0 0 0 0 3.4173 -12.0965 0.0000 O 0 0 0 0 0 0 0 0 0 4.8420 -12.0843 0.0000 C 0 0 0 0 0 0 0 0 0 4.8491 -12.9051 0.0000 O 0 0 0 0 0 0 0 0 0 5.5487 -11.6698 0.0000 O 0 0 0 0 0 0 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 5 11 2 0 0 0 6 12 1 0 0 0 8 13 2 0 0 0 9 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 5 10 1 0 0 0 8 12 1 0 0 0 1 18 1 6 0 0 3 19 1 1 0 0 15 20 2 0 0 0 1 2 1 0 0 0 16 21 1 0 0 0 1 3 1 0 0 0 17 22 1 0 0 0 1 4 1 0 0 0 22 23 2 0 0 0 2 5 1 0 0 0 23 24 1 0 0 0 2 6 1 0 0 0 23 25 1 0 0 0 2 7 1 1 0 0 25 26 1 0 0 0 3 8 1 0 0 0 25 27 2 0 0 0 M END