Mrv1652309122217402D 37 40 0 0 1 0 999 V2000 -10.0026 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 5.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.7125 0.0000 C 0 0 1 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 -4.2868 4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0013 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0013 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 14 29 1 0 0 0 0 29 30 1 1 0 0 0 12 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 10 33 1 0 0 0 0 33 34 1 0 0 0 0 7 34 1 0 0 0 0 34 35 2 0 0 0 0 6 36 1 0 0 0 0 36 37 2 0 0 0 0 3 37 1 0 0 0 0 M END > NP0330384 > NP-MRD > COC1=CC=C(C=C1)C1=COC2=CC(O[C@@H]3O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2C1=O > InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18-,22-,23+,24-,25-/m1/s1 > RDTAGQKYPGLCBK-GOZZSVHWSA-N > C25H24O12 > 516.455 > 516.126776213 > 11 > 61 > 50.40303970482363 > 0 > 4 > 0 > 0 > 3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid > 0.9416175303333336 > 1 > 4 > -1 > 12.201707340594092 > 3.3796071965269605 > -3.649103025377329 > 178.28 > 121.82430000000001 > 9 > 0 > 3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid > 0 > NP0330384 > 3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid $$$$