CDK 1030232202 31 35 0 0 0 0 0 0 0 0999 V2000 2.1435 0.8250 0.0000 Cl 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 1.4290 -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 0.7145 0.0000 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 2.8579 -1.2375 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 -1.6500 0.0000 O 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 3.4710 -1.7895 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 2.3150 -2.4570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8066 -1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1671 -2.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2916 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -3.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -3.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8436 -1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 -2.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -3.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -2.3746 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1776 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0723 -4.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 -4.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5266 -3.0953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8920 -2.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1776 -3.9203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 -4.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5266 -3.9203 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8920 -4.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 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 6 10 2 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 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 23 27 2 0 0 0 0 23 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 7 10 1 0 0 0 0 13 15 1 0 0 0 0 18 20 1 0 0 0 0 25 28 1 0 0 0 0 29 30 1 0 0 0 0 M END > CHEBI:219287 > Sporidesmin C > 2 > 6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,20-dimethyl-16,17,18-trithia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione > C18H20ClN3O6S3 > 506.000 > 505.02028 > 0 > ClC1=C(OC)C(OC)=C2N(C)C3C(C2=C1)(O)C(O)C45SSSCC(C(N34)=O)N(C5=O)C > InChI=1S/C18H20ClN3O6S3/c1-20-9-6-29-31-30-18(16(20)25)14(24)17(26)7-5-8(19)11(27-3)12(28-4)10(7)21(2)15(17)22(18)13(9)23/h5,9,14-15,24,26H,6H2,1-4H3 > VUWFDUNAWUUIJJ-UHFFFAOYSA-N $$$$