Marvin 02251314242D 51 55 0 0 1 0 999 V2000 6.3564 -8.9054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3564 -8.1110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6532 -8.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6532 -9.3353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0711 -9.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0711 -7.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6532 -10.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 -8.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0711 -6.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3564 -10.5596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7801 -6.4425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3564 -11.3853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0711 -10.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4947 -6.8867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7801 -5.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6532 -11.7925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0711 -11.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7801 -10.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4947 -7.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2122 -6.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 -11.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6532 -12.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4947 -10.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7801 -11.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2122 -8.1110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9326 -6.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 -10.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1926 -11.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 -13.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4947 -9.3353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2122 -9.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2122 -8.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -7.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6387 -6.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1926 -10.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1926 -9.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4722 -8.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4722 -8.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7575 -9.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 -7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0486 -8.0228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7148 -6.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4762 -7.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 -6.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 -7.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0284 -10.9213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4947 -6.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9212 -8.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6420 -7.6985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7803 -8.9228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2092 -10.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 6 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 6 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 6 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 46 1 1 0 0 0 11 14 1 0 0 0 0 11 15 1 1 0 0 0 12 16 1 0 0 0 0 12 17 1 6 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 47 1 1 0 0 0 16 21 1 0 0 0 0 16 22 1 1 0 0 0 18 23 1 0 0 0 0 18 24 2 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 1 0 0 0 25 32 1 0 0 0 0 25 33 1 0 0 0 0 25 48 1 1 0 0 0 26 33 1 0 0 0 0 26 34 2 0 0 0 0 27 35 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 41 43 2 0 0 0 0 42 44 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 2 49 1 0 0 0 0 30 50 1 0 0 0 0 23 51 1 0 0 0 0 M END > CHEBI:72590 > rhizoxin > An macrolide antibiotic isolated from the pathogenic plant fungus Rhizopus microsporus. It also exhibits antitumour and antimitotic activity. > 3 > WF-1360; Antibiotic WF-1360 > (1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.0(3,5).0(11,13)]henicos-14-ene-6,19-dione > C35H47NO9 > 625.74900 > 625.32508 > 0 > [H][C@]12CC(=O)O[C@]([H])(C1)[C@H](C)\C=C\[C@@]1([H])O[C@]1(C)[C@@H](O)C[C@]([H])(OC(=O)[C@]1([H])O[C@@]1([H])C2)[C@H](C)[C@@H](OC)C(\C)=C\C=C\C(C)=C\c1coc(C)n1 > InChI=1S/C35H47NO9/c1-19(13-25-18-41-23(5)36-25)9-8-10-21(3)32(40-7)22(4)27-17-29(37)35(6)30(45-35)12-11-20(2)26-14-24(16-31(38)42-26)15-28-33(43-28)34(39)44-27/h8-13,18,20,22,24,26-30,32-33,37H,14-17H2,1-7H3/b9-8+,12-11+,19-13+,21-10+/t20-,22+,24+,26-,27+,28+,29+,30-,32+,33-,35-/m1/s1 > OWPCHSCAPHNHAV-QIPOKPRISA-N > 90996-54-6 > 5915392 > 90996-54-6 > 11169722; 18344330; 2364385; 3120782; 3753552; 3755426; 8392827 $$$$