Mrv0541 09061400402D 36 38 0 0 0 0 999 V2000 4.5612 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7529 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 2.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 2.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9904 -3.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1487 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 -0.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2779 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5154 -0.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4529 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9279 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4029 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1654 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7529 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9904 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9904 -0.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4029 0.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0146 2.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5533 2.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4029 -2.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1654 -0.3490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2779 -1.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 1.0799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9279 0.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 -0.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5154 -1.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4529 1.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 10 2 0 0 0 0 14 2 1 0 0 0 0 15 11 1 0 0 0 0 15 14 2 0 0 0 0 16 12 1 0 0 0 0 17 13 2 0 0 0 0 17 14 1 0 0 0 0 18 6 1 0 0 0 0 19 13 1 0 0 0 0 20 16 1 0 0 0 0 22 3 1 0 0 0 0 22 20 1 0 0 0 0 22 21 1 0 0 0 0 23 4 1 0 0 0 0 23 18 1 0 0 0 0 23 22 1 0 0 0 0 24 19 2 0 0 0 0 25 20 1 0 0 0 0 26 23 1 0 0 0 0 27 5 1 0 0 0 0 27 17 1 0 0 0 0 28 15 1 0 0 0 0 28 19 1 0 0 0 0 29 16 1 0 0 0 0 29 21 1 0 0 0 0 30 18 1 0 0 0 0 30 21 1 0 0 0 0 31 7 1 0 0 0 0 32 8 1 0 0 0 0 33 9 1 0 0 0 0 34 10 1 0 0 0 0 35 11 1 0 0 0 0 36 12 1 0 0 0 0 M END > T3D3749 > t3db > [H]/C(=C(/[H])\C(\[H])=C(/[H])C1=C(C)C(OC)=CC(=O)O1)/C(/[H])=C(\[H])C1OC2OC(CC)C(C)(O)C2(C)C1O > InChI=1S/C23H30O7/c1-6-18-23(4,26)22(3)20(25)16(29-21(22)30-18)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15/h7-13,16,18,20-21,25-26H,6H2,1-5H3/b8-7+,11-9+,12-10+ > GPXPJKFETRLRAS-BGSVYHRFSA-N > C23H30O7 > 418.4801 > 418.199153314 > 6 > 60 > 45.879005880217704 > 1 > 2 > 0 > 1 > 6-[(1E,3E,5E)-6-{5-ethyl-3,4-dihydroxy-3a,4-dimethyl-hexahydrofuro[2,3-b]furan-2-yl}hexa-1,3,5-trien-1-yl]-4-methoxy-5-methyl-2H-pyran-2-one > 3.51 > 2.4787235536666654 > -3.97 > 1 > 3 > 0 > 13.826561112722434 > 13.128864039700943 > -3.4783775545859985 > 94.45000000000002 > 116.2172 > 6 > 1 > 4.53e-02 g/l > 6-[(1E,3E,5E)-6-{5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl}hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one > 0 > T3D3749 > Asteltoxin > 79663-49-3 > Ev-toxin > Organic Compound; Ether; Ester; Food Toxin; Mycotoxin; Metabolite; Fungal Toxin; Natural Compound $$$$