Mrv1652309122211592D 34 37 0 0 1 0 999 V2000 -1.0199 -0.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4091 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1252 -1.1240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8380 -0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0725 0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7887 -0.3984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3696 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -1.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2076 -1.9361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9238 -2.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4949 -2.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0853 -3.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2603 -3.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0501 -3.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5144 -2.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1287 -1.9490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7441 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5503 -2.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4117 -3.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5908 -3.1707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0414 -3.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 -3.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3158 -4.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1235 -4.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3817 -3.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 -3.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8322 -2.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -2.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4159 -2.3645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3002 -1.9549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0130 -2.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 3 1 6 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 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 6 0 0 0 12 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 16 18 1 0 0 0 0 18 19 1 0 0 0 0 4 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 25 31 1 0 0 0 0 32 23 1 6 0 0 0 19 32 1 0 0 0 0 32 33 1 0 0 0 0 2 33 1 0 0 0 0 33 34 1 6 0 0 0 M END > NP0327426 > NP-MRD > C[C@H]1[C@H]2[C@H](CC3=CC=C(O)C=C3)N=C(O)[C@]22OC(=O)\C=C\[C@@H](C)C(O)[C@@H](C)C\C=C\[C@H]2C=C1C > InChI=1S/C28H35NO5/c1-16-6-5-7-21-14-18(3)19(4)25-23(15-20-9-11-22(30)12-10-20)29-27(33)28(21,25)34-24(31)13-8-17(2)26(16)32/h5,7-14,16-17,19,21,23,25-26,30,32H,6,15H2,1-4H3,(H,29,33)/b7-5+,13-8+/t16-,17+,19+,21-,23-,25-,26?,28+/m0/s1 > SPWDDTRKTNRBSL-XNGFQOLTSA-N > C28H35NO5 > 465.59 > 465.251523231 > 5 > 69 > 51.45466076340668 > 1 > 3 > 0 > 0 > (5R,7S,13S,13aS,14S,16aR,16bS)-6,16-dihydroxy-14-[(4-hydroxyphenyl)methyl]-5,7,12,13-tetramethyl-2H,5H,6H,7H,8H,13H,13aH,14H,16bH-oxacyclododeca[3,2-e]isoindol-2-one > 3.7585806361680607 > 0 > 4 > 0 > 9.504999240478758 > 1.8400668823491872 > 4.723939938862731 > 99.35000000000001 > 133.922 > 2 > 1 > (5R,7S,13S,13aS,14S,16aR,16bS)-6,16-dihydroxy-14-[(4-hydroxyphenyl)methyl]-5,7,12,13-tetramethyl-5H,6H,7H,8H,13H,13aH,14H,16bH-oxacyclododeca[3,2-e]isoindol-2-one > 0 > NP0327426 > (5r,7s,10as,13s,13as,14s,16ar)-6,16-dihydroxy-14-[(4-hydroxyphenyl)methyl]-5,7,12,13-tetramethyl-5h,6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[3,2-d]isoindol-2-one $$$$