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-2.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 3.7912 -4.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 2.7122 1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5572 2.9728 4.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7837 0.4141 3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1757 1.3808 4.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 -1.8092 3.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6102 -0.3809 4.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8906 -2.1700 2.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7973 -1.1917 3.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 0.8388 2.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5181 -1.1878 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 12 13 2 0 0 0 0 25 27 2 0 0 0 0 13 14 1 0 0 0 0 42 34 1 0 0 0 0 14 16 2 0 0 0 0 20 21 2 0 0 0 0 16 18 1 0 0 0 0 18 11 2 0 0 0 0 21 22 1 0 0 0 0 14 15 1 0 0 0 0 20 27 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 38 1 0 0 0 0 20 19 1 0 0 0 0 27 28 1 0 0 0 0 28 9 1 0 0 0 0 7 6 1 0 0 0 0 6 46 1 0 0 0 0 46 44 1 0 0 0 0 44 31 1 0 0 0 0 31 30 1 0 0 0 0 30 7 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 9 10 2 0 0 0 0 33 32 1 0 0 0 0 9 8 1 0 0 0 0 10 19 1 0 0 0 0 16 17 1 0 0 0 0 40 41 1 0 0 0 0 10 11 1 0 0 0 0 28 29 2 0 0 0 0 38 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 25 26 1 0 0 0 0 40 42 1 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 52 50 1 0 0 0 0 50 48 1 0 0 0 0 48 4 1 0 0 0 0 4 3 1 0 0 0 0 3 2 1 0 0 0 0 2 52 1 0 0 0 0 4 5 1 0 0 0 0 50 51 1 0 0 0 0 6 5 1 0 0 0 0 34 33 1 0 0 0 0 38 39 1 0 0 0 0 42 43 1 0 0 0 0 36 37 1 0 0 0 0 31 32 1 0 0 0 0 7 8 1 0 0 0 0 52 53 1 0 0 0 0 2 1 1 0 0 0 0 48 49 1 0 0 0 0 43 83 1 0 0 0 0 39 79 1 0 0 0 0 38 78 1 6 0 0 0 34 73 1 6 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 36 74 1 1 0 0 0 42 82 1 6 0 0 0 40 80 1 1 0 0 0 41 81 1 0 0 0 0 24 68 1 0 0 0 0 21 66 1 0 0 0 0 23 67 1 0 0 0 0 26 69 1 0 0 0 0 12 61 1 0 0 0 0 13 62 1 0 0 0 0 18 65 1 0 0 0 0 15 63 1 0 0 0 0 7 60 1 1 0 0 0 44 84 1 6 0 0 0 45 85 1 0 0 0 0 46 86 1 1 0 0 0 47 87 1 0 0 0 0 6 59 1 6 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 31 70 1 1 0 0 0 17 64 1 0 0 0 0 49 89 1 0 0 0 0 53 93 1 0 0 0 0 52 92 1 1 0 0 0 4 58 1 6 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 1 56 1 0 0 0 0 2 57 1 6 0 0 0 48 88 1 1 0 0 0 50 90 1 6 0 0 0 51 91 1 0 0 0 0 M END > NP0030623 > NP-MRD > [H]OC1=C([H])C(O[H])=C2C(=O)C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])=C(OC2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H] > InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1 > HKNBJSRIYRDSLB-MAWNCODISA-N > C33H40O20 > 756.6587 > 756.21129372 > 20 > 93 > 71.03092329756568 > 0 > 12 > 0 > 0 > 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one > -0.07 > -1.592686653999999 > -1.93 > 1 > 6 > -1 > 7.8725066416917775 > 6.3724040049384385 > -3.6765067042170996 > 324.44 > 171.01470000000006 > 8 > 0 > 8.91e+00 g/l > 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one > 0 > NP0030623 > Manghaslin $$$$