CDK 1029232202 30 34 0 0 0 0 0 0 0 0999 V2000 0.7144 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -0.7481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 -0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 -1.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 -0.1350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0078 -0.5619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 -1.7179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 0.5795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0225 -1.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 -2.0535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5597 -0.1350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2957 -2.3310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7347 1.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3159 -2.4660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 -2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 -0.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 -2.3310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7082 -3.0455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3222 2.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5597 1.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3159 -3.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9418 -1.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9418 -3.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2957 -3.7600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5293 -3.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7082 -4.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 8 4 1 1 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 11 6 1 1 0 0 0 7 12 2 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 1 0 0 0 11 16 1 0 0 0 0 13 17 1 1 0 0 0 13 18 1 0 0 0 0 14 19 1 6 0 0 0 14 20 1 0 0 0 0 21 15 1 0 0 0 0 22 15 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 21 26 1 6 0 0 0 21 27 1 0 0 0 0 28 22 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 1 0 0 0 8 11 1 0 0 0 0 10 13 1 0 0 0 0 22 18 1 6 0 0 0 20 24 1 0 0 0 0 28 29 1 0 0 0 0 M END > CHEBI:204216 > Epicoccin L > 2 > (1R,4S,5S,9R,11R,14S,15S,18S,19S)-5,15,18-trihydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosane-2,8,12-trione > C20H28N2O6S2 > 456.570 > 456.13888 > 0 > S([C@@]12N(C(=O)[C@]3(SC)C[C@H]4[C@H](N3C1=O)[C@@H](O)CC[C@@H]4O)[C@@H]5[C@@H](O)CCC([C@@H]5C2)=O)C > InChI=1S/C20H28N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h9-11,13-16,23,25-26H,3-8H2,1-2H3/t9-,10+,11+,13+,14+,15+,16+,19-,20-/m1/s1 > ICHLCEDVEBEDDC-WJQJLFQASA-N $$$$