Marvin 09061310592D 37 41 0 0 0 0 999 V2000 40.1465 -10.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 38.9175 -11.2832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 38.1302 -11.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.3466 -11.1041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.3768 -9.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6716 -11.6748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 35.8099 -9.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5593 -10.8041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 39.3757 -10.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 38.9592 -10.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 35.0850 -10.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7796 -11.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8590 -10.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6520 -10.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5139 -10.2209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.0965 -9.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8004 -10.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3635 -10.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3976 -8.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6676 -9.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2388 -9.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8265 -8.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6312 -10.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1225 -8.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1131 -9.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.2554 -8.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.9427 -10.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0642 -11.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4714 -11.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.1092 -12.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9480 -9.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.3632 -9.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5472 -8.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2398 -10.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7637 -10.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.9592 -9.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.5601 -11.9008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 2 3 1 6 0 0 0 1 4 1 0 0 0 0 5 11 1 0 0 0 0 6 1 1 0 0 0 0 7 15 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 10 13 1 0 0 0 0 11 7 2 0 0 0 0 1 12 1 0 0 0 0 1 13 1 1 0 0 0 14 5 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 10 18 1 0 0 0 0 19 5 2 0 0 0 0 9 20 1 6 0 0 0 21 27 1 0 0 0 0 22 7 1 0 0 0 0 23 14 2 0 0 0 0 24 22 2 0 0 0 0 25 16 2 0 0 0 0 26 21 2 0 0 0 0 27 20 1 0 0 0 0 28 11 1 0 0 0 0 6 29 1 1 0 0 0 2 30 1 0 0 0 0 31 14 1 0 0 0 0 9 32 1 1 0 0 0 33 22 1 0 0 0 0 34 31 1 0 0 0 0 8 35 1 6 0 0 0 2 10 1 0 0 0 0 8 3 1 0 0 0 0 8 18 1 0 0 0 0 9 16 1 0 0 0 0 19 24 1 0 0 0 0 10 36 1 1 0 0 0 4 37 1 6 0 0 0 M END > CHEBI:68243 > platensimycin A1 methyl ester > A polycyclic cage that is the methyl ester derivative of platensimycin A1. It is isolated from Streptomyces platensis. > 3 > methyl 2,4-dihydroxy-3-({3-[(1S,4aS,5R,6R,7S,9S,9aR)-5-hydroxy-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)benzoate > C25H29NO8 > 471.49970 > 471.18932 > 0 > [H][C@]12C[C@]3([H])O[C@@]1(C)[C@H](O)[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)OC)c2O)[C@]31[H] > InChI=1S/C25H29NO8/c1-23(8-7-17(29)26-18-14(27)5-4-13(19(18)30)21(31)33-3)16(28)6-9-25-11-12-10-15(20(23)25)34-24(12,2)22(25)32/h4-6,9,12,15,20,22,27,30,32H,7-8,10-11H2,1-3H3,(H,26,29)/t12-,15+,20+,22+,23-,24-,25-/m1/s1 > DNQXWIUWKPRGGF-OHIQKDTISA-N > 21214253 $$$$