CDK 1030232203 37 40 0 0 0 0 0 0 0 0999 V2000 7.1447 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -4.1250 0.0000 C 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 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.5375 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 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 O 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 1.4290 -1.2375 0.0000 O 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 0.7144 0.8250 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 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 2 0 0 0 0 11 19 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 15 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 25 30 2 0 0 0 0 26 31 1 0 0 0 0 28 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 8 10 1 0 0 0 0 11 15 1 0 0 0 0 14 20 1 0 0 0 0 23 28 1 0 0 0 0 M END > CHEBI:227373 > Naphthablin > 2 > [8,10-dihydroxy-9-(1-hydroxy-2-methylbut-3-en-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] 2-methylpropanoate > C29H36O8 > 512.599 > 512.24102 > 0 > O=C1C=2OC(C3CC(OC(=O)C(C)C)C(CC3C2C(=O)C=4C1=C(O)C(=C(O)C4)C(C=C)(CO)C)C)(C)C > InChI=1S/C29H36O8/c1-8-29(7,12-30)22-18(31)10-16-20(24(22)33)25(34)26-21(23(16)32)15-9-14(4)19(36-27(35)13(2)3)11-17(15)28(5,6)37-26/h8,10,13-15,17,19,30-31,33H,1,9,11-12H2,2-7H3 > NPKRLSYRZGLPCT-UHFFFAOYSA-N $$$$