Ketcher 11281616052D 1 1.00000 0.00000 0 48 47 0 1 0 999 V2000 4.6388 -28.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4961 -27.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3534 -28.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2108 -27.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6400 -27.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3546 -27.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0691 -27.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9264 -28.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7838 -27.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6409 -28.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3556 -28.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9276 -27.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0679 -28.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0679 -29.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9253 -27.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9253 -26.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7826 -25.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7826 -26.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6400 -26.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4972 -26.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6400 -24.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4972 -25.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3546 -24.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3546 -26.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0691 -26.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2118 -26.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2118 -25.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4972 -28.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4972 -29.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7826 -28.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7826 -29.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4972 -29.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2118 -29.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6400 -30.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6400 -31.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3546 -30.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4972 -31.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3546 -31.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2118 -31.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0691 -31.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0691 -30.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9264 -29.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0702 -28.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0702 -29.3331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2130 -27.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2130 -26.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4983 -27.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2118 -28.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 13 1 0 0 0 13 15 1 0 0 0 15 30 1 0 0 0 30 5 1 0 0 0 5 28 1 0 0 0 28 6 1 0 0 0 6 48 1 0 0 0 48 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 47 1 0 0 0 47 11 1 0 0 0 11 45 1 0 0 0 45 43 1 0 0 0 43 12 1 0 0 0 13 14 1 6 0 0 15 16 1 1 0 0 16 18 1 0 0 0 18 17 2 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 24 1 0 0 0 20 22 1 6 0 0 22 21 2 0 0 0 22 23 1 0 0 0 24 26 1 0 0 0 26 25 1 0 0 0 26 27 2 0 0 0 28 29 1 6 0 0 30 31 1 6 0 0 31 34 1 0 0 0 34 32 1 0 0 0 32 36 1 0 0 0 36 33 1 0 0 0 33 41 1 0 0 0 34 35 2 0 0 0 36 38 1 1 0 0 38 37 2 0 0 0 38 39 1 0 0 0 41 40 2 0 0 0 41 42 1 0 0 0 43 44 1 6 0 0 45 46 1 6 0 0 M END > CHEBI:133832 > fumonisin B4 > A fumonisin that is fumonisin B2 that is lacking hydroxy group located γ- to the amino substituent. > 3 > fumonisin B4 > (2R,2'R)-2,2'-{[(5R,6R,7S,9S,18S,19S)-19-amino-18-hydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}disuccinic acid > C34H59NO13 > 689.832 > 689.39864 > 0 > CCCC[C@H]([C@H]([C@H](C[C@H](CCCCCCCC[C@@H]([C@H](C)N)O)C)OC(C[C@@H](CC(=O)O)C(=O)O)=O)OC(=O)C[C@@H](CC(O)=O)C(=O)O)C > InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23-,24+,25+,26-,27-,32+/m0/s1 > WYYKRDVIBOEORL-JLCKPESSSA-N > 136379-60-7 > 19781280 > 136379-60-7 $$$$