CDK 1030232200 55 60 0 0 0 0 0 0 0 0999 V2000 6.4302 4.9500 0.0000 O 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 7.1447 3.7125 0.0000 C 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 6.4302 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.4750 0.0000 O 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 7.1447 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 7.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 1.2375 0.0000 O 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 10.7171 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 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 4.2869 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 O 0 0 0 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 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 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 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 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 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 2 0 0 0 0 9 16 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 2 0 0 0 0 19 27 1 0 0 0 0 21 28 2 0 0 0 0 22 29 2 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 25 32 2 0 0 0 0 25 33 1 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 38 43 1 0 0 0 0 39 44 2 0 0 0 0 40 45 1 0 0 0 0 40 46 1 0 0 0 0 41 47 1 0 0 0 0 43 48 2 0 0 0 0 45 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 53 55 1 0 0 0 0 9 13 1 0 0 0 0 12 18 1 0 0 0 0 16 21 1 0 0 0 0 26 32 1 0 0 0 0 41 45 1 0 0 0 0 44 48 1 0 0 0 0 M END > CHEBI:205703 > TAN-1518 A > 2 > [3-carbamoyl-4,4a,6,7-tetrahydroxy-8-[4-hydroxy-6-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]-11-methoxy-11-methyl-2,5-dioxo-1,11a,12,12a-tetrahydrotetracen-1-yl] 2-hydroxybenzoate > C39H41NO15 > 763.749 > 763.24762 > 0 > O=C1C2=C(O)C3=C(O)C(=CC=C3C(C2CC4C1(O)C(O)=C(C(=O)C4OC(=O)C5=C(O)C=CC=C5)C(=O)N)(OC)C)C6OC(C(OC(=O)/C(=C\C)/C)C(C6)O)C > InChI=1S/C39H41NO15/c1-6-15(2)36(49)54-31-16(3)53-24(14-23(31)42)18-11-12-19-25(28(18)43)29(44)26-20(38(19,4)52-5)13-21-32(55-37(50)17-9-7-8-10-22(17)41)30(45)27(35(40)48)34(47)39(21,51)33(26)46/h6-12,16,20-21,23-24,31-32,41-44,47,51H,13-14H2,1-5H3,(H2,40,48)/b15-6- > SNWJINGOFNDVIF-UUASQNMZSA-N $$$$