CDK 1030232201 43 48 0 0 0 0 0 0 0 0999 V2000 2.1434 0.8250 0.0000 O 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 2.8579 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2448 2.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4008 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5804 3.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5597 1.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4584 -1.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -0.5520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3844 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 -1.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 -1.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4365 -0.5409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9829 0.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0256 1.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2553 2.2650 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 5.6144 -2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -2.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0044 0.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7673 -1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 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 5.1295 -2.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5873 -1.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 -3.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9180 -2.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0764 -0.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2855 -3.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7380 -2.2353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 1 0 0 0 3 6 1 0 0 0 0 4 7 1 6 0 0 0 4 8 1 0 0 0 0 9 4 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 13 8 1 1 0 0 0 9 14 1 6 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 26 21 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 2 0 0 0 0 24 31 1 0 0 0 0 25 32 2 0 0 0 0 26 33 1 0 0 0 0 26 34 1 6 0 0 0 30 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 2 0 0 0 0 34 38 2 3 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 15 17 2 0 0 0 0 21 24 1 0 0 0 0 27 33 1 0 0 0 0 32 37 1 0 0 0 0 M END > CHEBI:210704 > 25-hydroxyfumitremorgin A > 2 > (9R,14S,17S,23R,24S)-23-hydroxy-9-(3-hydroxy-2-methylprop-1-enyl)-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione > C32H41N3O8 > 595.693 > 595.28937 > 0 > O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](OCC=C(C)C)C=4C5=C(C=C(OC)C=C5)N6C4[C@@H]3CC(OO[C@@H]6C=C(CO)C)(C)C)CCC2 > InChI=1S/C32H41N3O8/c1-18(2)11-13-41-28-26-21-10-9-20(40-6)15-23(21)34-25(14-19(3)17-36)42-43-31(4,5)16-24(27(26)34)35-29(37)22-8-7-12-33(22)30(38)32(28,35)39/h9-11,14-15,22,24-25,28,36,39H,7-8,12-13,16-17H2,1-6H3/t22-,24-,25+,28-,32+/m0/s1 > MROXPMGDKBAOJZ-BMOJZYMJSA-N $$$$