CDK 1030232200 36 42 0 0 0 0 0 0 0 0999 V2000 4.4952 -3.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0827 -2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4952 -1.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 -2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0827 -0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 -1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 -3.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 -0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 -1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 -3.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 -3.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 -2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 -0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2936 0.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9834 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 -2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 -0.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 0.3356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5544 1.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1922 -0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8869 1.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8037 0.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1332 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9755 1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3943 2.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9732 2.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5342 1.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 2.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 2.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3058 2.9464 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 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 6 0 0 0 20 23 1 6 0 0 0 20 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 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 26 31 2 0 0 0 0 28 32 2 0 0 0 0 29 33 2 0 0 0 0 30 34 1 0 0 0 0 30 35 2 0 0 0 0 31 36 1 0 0 0 0 6 8 2 0 0 0 0 11 13 2 0 0 0 0 14 16 1 0 0 0 0 19 20 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 31 35 1 0 0 0 0 M END > CHEBI:205612 > Bacillosporin C > 2 > (1S,15S)-3,9,15,21-tetrahydroxy-11,19-dimethyl-6,14,24-trioxaheptacyclo[16.7.1.14,8.01,15.02,13.022,26.012,27]heptacosa-2,4(27),8,10,12,18(26),19,21-octaene-7,17,23-trione > C26H18O10 > 490.420 > 490.09000 > 0 > O=C1OCC=2C(O)=C3[C@@]45C6=C(C(=O)OC4)C(O)=CC(=C6C(C[C@@]5(OC3=C7C2C1=C(O)C=C7C)O)=O)C > InChI=1S/C26H18O10/c1-8-3-12(28)18-19-14(8)13(29)5-26(33)25(19,7-35-24(18)32)20-21(30)10-6-34-23(31)17-11(27)4-9(2)15(16(10)17)22(20)36-26/h3-4,27-28,30,33H,5-7H2,1-2H3/t25-,26-/m0/s1 > KHBPWHLZTSXJPH-UIOOFZCWSA-N $$$$