CDK 1029232203 46 52 0 0 0 0 0 0 0 0999 V2000 2.8579 -2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -2.8876 0.0000 C 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 4.2870 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.2375 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 3.5724 -4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7159 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 -4.1251 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 6.4304 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -3.7126 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 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 -4.1251 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 7.1449 -6.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -6.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 -3.7126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0029 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 -4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1744 -6.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 -4.9501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9949 -6.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3304 -5.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4074 -6.9703 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 8 4 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 13 7 1 0 0 0 0 8 14 1 6 0 0 0 15 8 1 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 13 18 1 0 0 0 0 13 19 1 1 0 0 0 15 20 1 6 0 0 0 16 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 33 36 2 0 0 0 0 33 37 1 0 0 0 0 38 35 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 6 0 0 0 39 42 1 0 0 0 0 43 39 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 2 0 0 0 0 7 11 1 0 0 0 0 12 16 1 0 0 0 0 15 18 1 0 0 0 0 28 31 1 0 0 0 0 35 37 2 0 0 0 0 43 40 1 1 0 0 0 44 45 1 0 0 0 0 M END > CHEBI:204648 > GTRI-BB > 2 > methyl 2-[(1S,3S,4S)-4,6-dihydroxy-8-[(15S,17S)-7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl]-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate > C33H26O13 > 630.558 > 630.13734 > 0 > O=C1C2=C(O)C=C(C3=CC(O)=C4C(=O)C=5C6OC(=O)C[C@@H]6O[C@H](C5C(C4=C3)=O)C)C=C2C(=O)C7=C1[C@H](O)[C@H](CC(=O)OC)O[C@H]7C > InChI=1S/C33H26O13/c1-10-22-26(30(40)18(44-10)8-20(36)43-3)31(41)24-14(28(22)38)4-12(6-16(24)34)13-5-15-25(17(35)7-13)32(42)27-23(29(15)39)11(2)45-19-9-21(37)46-33(19)27/h4-7,10-11,18-19,30,33-35,40H,8-9H2,1-3H3/t10-,11-,18-,19-,30+,33?/m0/s1 > HODQAOCEAGGJKA-VCIWARJVSA-N $$$$