CDK 1030232202 35 37 0 0 0 0 0 0 0 0999 V2000 -0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 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 0.0000 -0.4125 0.0000 C 0 0 1 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 0.0000 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 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 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 -0.7145 -1.6500 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 1.4290 -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 -2.8579 -1.2375 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 2.1435 0.0000 0.0000 C 0 0 2 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 2.8579 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1435 0.8250 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 -3.5724 -2.4751 0.0000 C 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 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -0.4125 0.0000 O 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 -4.2870 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -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 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 3.5724 -1.6500 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 5.0014 0.0000 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 2.1435 -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 4 2 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 6 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 10 15 2 0 0 0 0 13 16 2 0 0 0 0 17 13 1 0 0 0 0 15 18 1 0 0 0 0 19 17 1 0 0 0 0 17 20 1 1 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 1 0 0 0 19 24 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 26 32 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 35 1 0 0 0 0 8 11 1 0 0 0 0 12 15 1 0 0 0 0 27 32 1 0 0 0 0 M END > CHEBI:218194 > Pleosporalone D > 2 > [(7S)-7-methyl-3-(2-methyl-6-oxocyclohexen-1-yl)-6,8-dioxoisochromen-7-yl] (E,2S,3R)-3-acetyloxy-2,4-dimethylhex-4-enoate > C27H30O8 > 482.529 > 482.19407 > 0 > O=C1C=2C(C=C(C=3C(=O)CCCC3C)OC2)=CC([C@@]1(OC(=O)[C@H]([C@@H](OC(=O)C)/C(=C/C)/C)C)C)=O > InChI=1S/C27H30O8/c1-7-14(2)24(34-17(5)28)16(4)26(32)35-27(6)22(30)12-18-11-21(33-13-19(18)25(27)31)23-15(3)9-8-10-20(23)29/h7,11-13,16,24H,8-10H2,1-6H3/b14-7+/t16-,24-,27-/m0/s1 > XYLYGSLMKLFYOS-DOZLGCNXSA-N $$$$