CDK 1030232203 26 29 0 0 0 0 0 0 0 0999 V2000 0.7145 0.0000 0.0000 Cl 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 O 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 -2.1435 0.0000 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 0.8250 0.0000 O 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 -2.1435 -1.6500 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 -3.5724 0.0000 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 -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 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 1 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 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7159 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0014 -2.4751 0.0000 O 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 -6.4304 0.0000 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 6 8 1 0 0 0 0 6 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 20 17 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 6 0 0 0 23 20 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 23 26 1 6 0 0 0 7 9 1 0 0 0 0 12 13 1 0 0 0 0 17 19 1 0 0 0 0 23 25 1 0 0 0 0 M END > CHEBI:227887 > Celastramycin B > 2 > (3S,4S)-8-chloro-4,7,12-trihydroxy-3-methyl-3,4-dihydro-2H-tetracene-1,6,11-trione > C19H13ClO6 > 372.760 > 372.04007 > 0 > ClC1=C(O)C=2C(=O)C3=C(C(O)=C4C(=O)C[C@@H]([C@@H](C4=C3)O)C)C(C2C=C1)=O > InChI=1S/C19H13ClO6/c1-6-4-11(21)12-8(15(6)22)5-9-14(19(12)26)16(23)7-2-3-10(20)18(25)13(7)17(9)24/h2-3,5-6,15,22,25-26H,4H2,1H3/t6-,15-/m0/s1 > VYZRGVNZHYVQDP-XHLQUELWSA-N $$$$