CDK 1030232201 45 50 0 0 0 0 0 0 0 0999 V2000 1.4290 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 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 2.8579 1.2375 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 2.8579 -0.4125 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 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 O 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 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 4.2868 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.4750 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 0.7144 -1.6500 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 4.2868 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -2.4750 0.0000 C 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 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8875 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 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 O 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 -1.4290 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4290 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.8875 0.0000 C 0 0 2 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 -3.5724 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9849 -0.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3974 -1.6500 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 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 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 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 10 16 1 0 0 0 0 10 17 2 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 13 20 2 0 0 0 0 14 21 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 27 31 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 33 35 2 0 0 0 0 36 33 1 0 0 0 0 34 37 2 0 0 0 0 38 35 1 0 0 0 0 36 39 1 1 0 0 0 40 36 1 0 0 0 0 38 41 1 6 0 0 0 42 38 1 0 0 0 0 40 43 1 1 0 0 0 40 44 1 0 0 0 0 42 45 1 1 0 0 0 7 11 1 0 0 0 0 12 17 1 0 0 0 0 14 20 1 0 0 0 0 27 30 1 0 0 0 0 34 35 1 0 0 0 0 40 42 1 0 0 0 0 M END > CHEBI:210351 > Alterporriol Z1 > 2 > 4,6-dihydroxy-1-methoxy-7-methyl-2-[(5S,6R,7S,8S)-4,5,6,7,8-pentahydroxy-1-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-2-yl]anthracene-9,10-dione > C32H26O13 > 618.547 > 618.13734 > 0 > O=C1C2=C(OC)C(C3=C(OC)C=4C(=O)C5=C([C@H](O)[C@@H](O)[C@]([C@H]5O)(O)C)C(C4C(=C3)O)=O)=CC(=C2C(=O)C6=C1C=C(C)C(=C6)O)O > InChI=1S/C32H26O13/c1-9-5-10-11(6-14(9)33)23(36)17-15(34)7-12(28(44-3)20(17)24(10)37)13-8-16(35)18-21(29(13)45-4)26(39)22-19(25(18)38)27(40)31(42)32(2,43)30(22)41/h5-8,27,30-31,33-35,40-43H,1-4H3/t27-,30-,31+,32-/m0/s1 > WRLVOFHKFDXIFA-ZKKLFSJWSA-N $$$$