Mrv1652304282207142D 61 67 0 0 1 0 999 V2000 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3260 0.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8781 1.5150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4301 0.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5455 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2992 1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9666 2.1493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7512 1.8944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2362 2.5618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8493 2.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8493 3.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6339 2.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7512 3.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9666 2.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0062 1.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4656 2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6586 2.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4976 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 8 14 2 0 0 0 0 14 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 1 0 0 0 0 20 22 1 1 0 0 0 22 23 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 24 29 1 0 0 0 0 28 30 1 1 0 0 0 27 31 1 1 0 0 0 26 32 1 6 0 0 0 25 33 1 1 0 0 0 19 34 1 6 0 0 0 18 35 1 1 0 0 0 17 36 1 6 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 6 0 0 0 41 42 1 0 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 45 47 1 6 0 0 0 47 48 1 0 0 0 0 45 49 1 0 0 0 0 49 50 1 0 0 0 0 43 50 1 0 0 0 0 44 51 1 1 0 0 0 39 52 1 0 0 0 0 52 53 1 0 0 0 0 37 53 1 0 0 0 0 38 54 1 1 0 0 0 11 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 10 58 2 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 55 61 1 0 0 0 0 M END > NP0060144 > NP-MRD > COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@](O)(CO[C@@H]4OC[C@@](O)(CO)[C@@H]4O)[C@@H]3O)=C(OC2=C1)C1=CC=C(O)C=C1 > InChI=1S/C38H48O23/c1-14-22(42)25(45)27(47)33(57-14)53-9-20-23(43)26(46)30(61-36-32(49)38(51,13-56-36)12-55-35-31(48)37(50,10-39)11-54-35)34(59-20)60-29-24(44)21-18(41)7-17(52-2)8-19(21)58-28(29)15-3-5-16(40)6-4-15/h3-8,14,20,22-23,25-27,30-36,39-43,45-51H,9-13H2,1-2H3/t14-,20-,22+,23-,25-,26+,27+,30-,31-,32-,33-,34+,35+,36+,37+,38+/m1/s1 > YAVAWTLXHOTOBW-BXESIGBCSA-N > C38H48O23 > 872.779 > 872.258637806 > 23 > 109 > 84.80115511852058 > 0 > 12 > 0 > 0 > 3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3S,4S)-4-({[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-4,5-dihydroxy-6-({[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one > -0.49 > -2.972299717333332 > -2.15 > 1 > 7 > 0 > 8.558381637858098 > 7.133122362694204 > -3.685847431138029 > 352.13000000000005 > 195.98690000000002 > 13 > 0 > 6.12e+00 g/l > 3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3S,4S)-4-({[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-4,5-dihydroxy-6-({[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one > 0 > NP0060144 > 3-[(O-D-Apio-beta-D-furanosyl-(1->5)-O-D-apio-beta-D-furanosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one $$$$