CDK 1030232203 41 48 0 0 0 0 0 0 0 0999 V2000 3.5724 -2.4751 0.0000 O 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 -1.2375 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 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 2.1435 -1.6500 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 2.1435 0.0000 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 1.4290 -1.2375 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 5.0014 0.8250 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 2.1435 0.8250 0.0000 C 0 0 1 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 2.8471 1.1893 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 0.7145 0.0000 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 1.4290 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4543 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8471 2.1107 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 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 2.0625 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 2.1435 2.4751 0.0000 C 0 0 1 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 3.5724 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 3.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.7126 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 6.4304 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 4.5376 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 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 16 10 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 2 0 0 0 0 20 25 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 30 24 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 6 0 0 0 31 35 1 0 0 0 0 31 36 2 0 0 0 0 32 37 1 0 0 0 0 32 38 2 0 0 0 0 35 39 1 0 0 0 0 37 40 2 0 0 0 0 38 41 1 0 0 0 0 6 8 1 0 0 0 0 12 15 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 33 37 1 0 0 0 0 36 38 1 0 0 0 0 M END > CHEBI:226021 > Alternarlactone A > 2 > (24R,27R)-8,14,20,27-tetrahydroxy-6,18-dimethoxy-24-methyl-11,16,23-trioxaoctacyclo[15.10.2.02,15.03,12.04,9.05,27.021,29.024,28]nonacosa-1(28),2(15),3(12),4(9),5,7,13,17,19,21(29)-decaene-10,22,26-trione > C29H18O12 > 558.451 > 558.07983 > 0 > O=C1OC2=C3C4=C(OC=5C(OC)=CC(=C6C5C7=C4[C@](C=8C3=C1C(O)=CC8OC)(O)C(=O)C[C@]7(OC6=O)C)O)C(=C2)O > InChI=1S/C29H18O12/c1-28-7-14(33)29(36)21-12(37-2)4-8(30)15-18(21)17-11(39-26(15)34)6-10(32)24-20(17)23(29)22(28)19-16(27(35)41-28)9(31)5-13(38-3)25(19)40-24/h4-6,30-32,36H,7H2,1-3H3/t28-,29+/m1/s1 > OFVMKRVGBKSDLT-WDYNHAJCSA-N $$$$