Ketcher 12132314032D 1 1.00000 0.00000 0 46 46 0 0 0 999 V2000 10.7935 -3.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7935 -4.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5246 -3.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6669 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9359 -4.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9359 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7935 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6669 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2555 -3.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3978 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0022 -3.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7331 -3.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8598 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4641 -3.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5908 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1951 -4.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1951 -3.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3219 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3219 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1951 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0529 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0529 -4.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5246 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3978 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2555 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0022 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8598 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7331 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5908 -5.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4641 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9359 -2.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0626 -4.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2049 -4.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0626 -3.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3316 -4.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0626 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5246 -7.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2555 -7.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0022 -7.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7331 -7.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4641 -7.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1951 -7.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9262 -4.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0529 -2.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 4 1 0 0 0 1 33 2 0 0 0 2 5 1 0 0 0 3 4 2 0 0 0 3 10 1 0 0 0 5 6 1 0 0 0 5 34 1 0 0 0 6 7 1 0 0 0 6 38 1 0 0 0 7 8 2 0 0 0 8 24 1 0 0 0 9 10 2 0 0 0 9 12 1 0 0 0 11 12 2 0 0 0 11 14 1 0 0 0 13 14 2 0 0 0 13 16 1 0 0 0 15 16 2 0 0 0 15 19 1 0 0 0 17 18 1 0 0 0 17 23 1 0 0 0 18 19 1 0 0 0 18 46 1 0 0 0 20 21 1 0 0 0 20 32 1 0 0 0 21 22 1 0 0 0 21 44 1 0 0 0 22 23 1 0 0 0 23 45 1 0 0 0 24 25 1 0 0 0 24 39 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 26 40 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 28 41 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 30 42 1 0 0 0 31 32 1 0 0 0 32 43 1 0 0 0 34 35 1 0 0 0 34 36 1 0 0 0 35 37 1 0 0 0 M END > CHEBI:219363 > reedsmycin A > A macrolide isolated from the reed rhizosphere soil-derived Streptomyces sp. CHQ-64. > 3 > RDM A > (3E,5E,7E,9E,11E,29E)-32-(butan-2-yl)-14,16,18,20,22,24,26,28-octahydroxy-31-methyloxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one > C36H58O10 > 650.850 > 650.40300 > 0 > CCC(C)C1OC(=O)\C=C\C=C\C=C\C=C\C=C\CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C > InChI=1S/C36H58O10/c1-4-25(2)36-26(3)16-17-28(38)19-30(40)21-32(42)23-34(44)24-33(43)22-31(41)20-29(39)18-27(37)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,25-34,36-44H,4,14,18-24H2,1-3H3/b7-5+,8-6+,11-9+,12-10+,15-13+,17-16+ > XVBIZWCWDZDOMC-VNYSJGGHSA-N > 29616210; 29914489; 31018512; 36499372 $$$$