CDK 1030232202 40 45 0 0 0 0 0 0 0 0999 V2000 0.7145 0.0000 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 -0.7145 0.0000 0.0000 C 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 -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 C 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 -1.4290 1.2375 0.0000 C 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 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4751 0.0000 O 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 0.0000 2.0625 0.0000 C 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 -2.1435 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 -2.8579 -0.4125 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 -2.1435 2.4751 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 -2.4751 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 -3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.3001 0.0000 O 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 -2.8579 2.0625 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 -3.5724 -1.6500 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 -3.5724 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 1 0 0 0 0 0 0 0 0 0 -3.5724 -2.4751 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 -5.0014 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 -4.2870 2.0625 0.0000 C 0 0 1 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 -5.0014 -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 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 3 6 2 0 0 0 0 4 7 2 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 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 2 0 0 0 0 10 17 2 0 0 0 0 11 18 2 0 0 0 0 14 19 2 0 0 0 0 15 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 23 29 2 0 0 0 0 24 30 1 0 0 0 0 27 31 1 0 0 0 0 32 28 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 30 35 1 0 0 0 0 31 36 2 0 0 0 0 37 31 1 0 0 0 0 32 38 1 6 0 0 0 34 39 1 0 0 0 0 37 40 1 1 0 0 0 7 10 1 0 0 0 0 15 19 1 0 0 0 0 18 23 1 0 0 0 0 21 27 2 0 0 0 0 30 34 2 0 0 0 0 32 37 1 0 0 0 0 M END > CHEBI:220111 > Ustilaginoidin M > 2 > 4,5,6-trihydroxy-2,3-dimethyl-9-[(2R,3R)-5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl]benzo[g]chromen-8-one > C30H24O10 > 544.512 > 544.13695 > 0 > O=C1C(C2=C(O)C=C(O)C=3C2=CC=4O[C@H](C)[C@H](C(C4C3O)=O)C)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O > InChI=1S/C30H24O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-9,11,31,33-34,36-38H,1-4H3/t9-,11-/m1/s1 > BDIZPQDFMHMOFZ-MWLCHTKSSA-N $$$$