Mrv1652306192119023D 32 35 0 0 0 0 999 V2000 1.9006 4.0846 0.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 3.2145 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4163 1.9041 0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 1.5248 0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 2.3221 0.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1008 0.2918 1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 -0.5463 1.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3721 -1.7568 2.4275 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7525 -0.1710 1.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4143 1.0524 1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9114 1.3720 1.1786 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2967 2.1983 0.0751 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3618 1.4354 -1.1638 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1178 2.3780 -2.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3312 2.1685 -3.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0286 3.2185 -4.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 3.1031 -5.6865 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5197 4.4322 -3.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 4.6157 -2.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6067 3.5719 -1.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4218 3.4495 -0.1556 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9142 4.5986 0.5228 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4348 3.2008 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1472 0.0131 1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3356 -1.8867 2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 -0.8343 2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3281 2.5086 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7222 1.2221 -3.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5675 2.2189 -5.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 5.2306 -4.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1172 5.5494 -2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2541 5.3030 0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 9 7 2 0 0 0 0 10 3 2 0 0 0 0 19 18 1 0 0 0 0 16 15 1 0 0 0 0 20 19 2 0 0 0 0 10 11 1 0 0 0 0 3 2 1 0 0 0 0 2 21 1 0 0 0 0 12 11 1 0 0 0 0 15 14 2 0 0 0 0 4 5 1 0 0 0 0 7 6 1 0 0 0 0 2 1 2 0 0 0 0 7 8 1 0 0 0 0 12 21 1 0 0 0 0 14 20 1 0 0 0 0 6 4 2 0 0 0 0 4 3 1 0 0 0 0 21 20 1 0 0 0 0 14 13 1 0 0 0 0 13 12 1 0 0 0 0 16 18 2 0 0 0 0 16 17 1 0 0 0 0 10 9 1 0 0 0 0 21 22 1 0 0 0 0 19 31 1 0 0 0 0 15 28 1 0 0 0 0 18 30 1 0 0 0 0 8 25 1 0 0 0 0 6 24 1 0 0 0 0 9 26 1 0 0 0 0 5 23 1 0 0 0 0 12 27 1 0 0 0 0 17 29 1 0 0 0 0 22 32 1 0 0 0 0 M END > NP0024741 > NP-MRD > [H]OC1=C([H])C([H])=C2C(O[C@@]3([H])OC4=C(C(O[H])=C([H])C(O[H])=C4[H])C(=O)[C@@]23O[H])=C1[H] > InChI=1S/C15H10O7/c16-6-1-2-8-10(4-6)21-14-15(8,20)13(19)12-9(18)3-7(17)5-11(12)22-14/h1-5,14,16-18,20H/t14-,15-/m0/s1 > ABUIAOWZMATLQK-GJZGRUSLSA-N > C15H10O7 > 302.238 > 302.042652662 > 7 > 32 > 27.890164609007673 > 1 > 4 > 0 > 1 > (1S,10R)-5,7,10,14-tetrahydroxy-2,17-dioxatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-3(8),4,6,11,13,15-hexaen-9-one > 1.27 > 2.1328223123333334 > -2.11 > 0 > 4 > 0 > 9.02563380914325 > 7.680680492630735 > -4.756677876662234 > 116.45000000000002 > 72.1543 > 0 > 1 > 2.36e+00 g/l > (1S,10R)-5,7,10,14-tetrahydroxy-2,17-dioxatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-3(8),4,6,11,13,15-hexaen-9-one > 0 > NP0024741 > 3,5,7,4'-tetrahydroxy-coumaronochromone $$$$