Mrv1533004251513412D 42 46 0 0 0 0 999 V2000 -0.6942 7.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 6.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 5.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 5.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 4.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 3.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 3.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 2.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 2.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 1.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 0.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 -0.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 -1.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 -1.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 -1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3683 -1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -2.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -2.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 -2.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5192 -1.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 -1.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 -0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7567 -0.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5192 0.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 0.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5192 4.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 5.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5192 5.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 6.6382 0.0000 O 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 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 23 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 19 32 1 0 0 0 0 14 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 12 37 1 0 0 0 0 37 38 1 0 0 0 0 5 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 3 41 1 0 0 0 0 41 42 1 0 0 0 0 M END > NP0315768 > NP-MRD > COC1=CC(C=CC(=O)OCC2OC(OC(C)(C)C3CC4=CC5=C(OC(=O)C=C5)C=C4O3)C(O)C(O)C2O)=CC=C1O > InChI=1S/C30H32O12/c1-30(2,23-12-17-11-16-6-9-25(33)40-19(16)13-20(17)39-23)42-29-28(36)27(35)26(34)22(41-29)14-38-24(32)8-5-15-4-7-18(31)21(10-15)37-3/h4-11,13,22-23,26-29,31,34-36H,12,14H2,1-3H3 > AIKVOZSRVVMWGS-UHFFFAOYSA-N > C30H32O12 > 584.574 > 584.18937647 > 10 > 74 > 60.03934305065071 > 1 > 4 > 0 > 0 > {3,4,5-trihydroxy-6-[(2-{7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 2.37 > 2.5342120919999993 > -3.97 > 1 > 5 > 0 > 12.213429481551705 > 9.865827171721625 > -3.6490927299457043 > 170.44 > 146.766 > 9 > 0 > 6.32e-02 g/l > {3,4,5-trihydroxy-6-[(2-{7-oxo-2H,3H-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0 > NP0315768 > {3,4,5-trihydroxy-6-[(2-{7-oxo-2h,3h-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate $$$$