CDK 1030232202 37 41 0 0 0 0 0 0 0 0999 V2000 4.2870 2.0625 0.0000 O 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 3.5724 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.8250 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 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 1.2375 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 4.2870 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.8250 0.0000 C 0 0 2 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 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4304 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 1.2375 0.0000 C 0 0 1 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 2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2241 1.6500 0.0000 C 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 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 1.2375 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 0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9863 0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3989 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4751 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 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 11 7 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 1 0 0 0 16 11 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 14 19 1 0 0 0 0 14 20 1 6 0 0 0 16 21 1 0 0 0 0 22 16 1 0 0 0 0 16 23 1 6 0 0 0 17 24 1 0 0 0 0 17 25 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 21 28 2 0 0 0 0 21 29 1 0 0 0 0 22 30 1 1 0 0 0 22 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 29 34 2 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 33 37 1 0 0 0 0 6 9 1 0 0 0 0 11 14 1 0 0 0 0 18 25 1 0 0 0 0 22 27 1 0 0 0 0 31 34 1 0 0 0 0 M END > CHEBI:217246 > Territrem D > 2 > (1S,2S,7R,10R)-1,7-dihydroxy-14-(3-hydroxy-4,5-dimethoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-4,12(17),13-triene-3,16-dione > C28H32O9 > 512.555 > 512.20463 > 0 > O=C1OC(C2=CC(OC)=C(OC)C(=C2)O)=CC3=C1C[C@]4(O)[C@]5(C(=O)C=CC([C@]5(O)CC[C@]4(O3)C)(C)C)C > InChI=1S/C28H32O9/c1-24(2)8-7-21(30)26(4)27(24,32)10-9-25(3)28(26,33)14-16-19(37-25)13-18(36-23(16)31)15-11-17(29)22(35-6)20(12-15)34-5/h7-8,11-13,29,32-33H,9-10,14H2,1-6H3/t25-,26+,27-,28-/m1/s1 > URGMJTWQYIQDDO-JUDWXZBOSA-N $$$$