CDK 1030232200 43 47 0 0 0 0 0 0 0 0999 V2000 4.2870 -2.8876 0.0000 O 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 -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 -1.2375 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 5.7159 -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 3.5724 -1.6500 0.0000 O 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 6.4304 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -4.1251 0.0000 O 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 7.1449 -2.8876 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 3.5724 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1449 -1.2375 0.0000 O 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 4.9160 0.6592 0.0000 O 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 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 -4.1251 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 2.8579 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 5.1994 0.7673 0.0000 O 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 2.8579 2.0625 0.0000 C 0 0 0 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 1.4290 -0.4125 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 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.3001 0.0000 O 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 2.8579 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 5.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.3001 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 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 7 14 1 0 0 0 0 8 15 2 0 0 0 0 10 16 2 0 0 0 0 17 10 1 0 0 0 0 11 18 2 0 0 0 0 14 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 1 0 0 0 19 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 31 1 0 0 0 0 28 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 2 0 0 0 0 39 41 1 0 0 0 0 39 42 2 0 0 0 0 40 43 1 0 0 0 0 8 11 1 0 0 0 0 12 16 1 0 0 0 0 15 19 1 0 0 0 0 29 32 1 0 0 0 0 40 42 1 0 0 0 0 M END > CHEBI:206467 > Aspergilol A > 2 > 1,3,6,8-tetrahydroxy-2-[(1S)-1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]hexyl]anthracene-9,10-dione > C34H32O9 > 584.621 > 584.20463 > 0 > O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@H](C4=C(O)C=C(OC5=CC(O)=CC(=C5)C)C=C4C)CCCCC > InChI=1S/C34H32O9/c1-4-5-6-7-22(28-17(3)10-21(14-26(28)38)43-20-9-16(2)8-18(35)11-20)29-27(39)15-24-31(33(29)41)34(42)30-23(32(24)40)12-19(36)13-25(30)37/h8-15,22,35-39,41H,4-7H2,1-3H3/t22-/m0/s1 > PBHGSIRHKIBKSJ-QFIPXVFZSA-N $$$$