Mrv1652309092214282D 29 32 0 0 1 0 999 V2000 2.3645 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1105 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6465 0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6465 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0145 -1.0164 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 4 3 1 1 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 8 10 1 0 0 0 0 10 11 2 0 0 0 0 5 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 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 14 20 1 0 0 0 0 13 21 2 0 0 0 0 21 22 1 0 0 0 0 10 22 1 0 0 0 0 22 23 1 6 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 4 28 1 0 0 0 0 28 29 1 1 0 0 0 M END > NP0284652 > NP-MRD > CCO[C@@H]1[C@H](O)C(C)(C)OC2=C1C1=C([C@@H](O)C=C(O1)C1=CC=C(O)C=C1)C(O)=C2 > InChI=1S/C22H24O7/c1-4-27-20-18-16(29-22(2,3)21(20)26)10-14(25)17-13(24)9-15(28-19(17)18)11-5-7-12(23)8-6-11/h5-10,13,20-21,23-26H,4H2,1-3H3/t13-,20-,21-/m0/s1 > LTHMGLSQXWAUJI-ZEWGMFERSA-N > C22H24O7 > 400.427 > 400.152203113 > 7 > 53 > 42.233212156630174 > 1 > 4 > 0 > 1 > (6S,13S,14S)-14-ethoxy-4-(4-hydroxyphenyl)-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),4,8-tetraene-6,8,13-triol > 2.099953358666667 > 0 > 4 > 0 > 9.751520447740878 > 9.047508612487283 > -3.4828001339630097 > 108.61000000000001 > 107.03090000000002 > 3 > 1 > (6S,13S,14S)-14-ethoxy-4-(4-hydroxyphenyl)-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),4,8-tetraene-6,8,13-triol > 0 > NP0284652 > (4s,9s,10s)-10-ethoxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4h,9h,10h-pyrano[2,3-h]chromene-4,5,9-triol $$$$