Mrv1652306242119543D 54 55 0 0 0 0 999 V2000 -4.3001 -0.6807 3.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7946 0.7255 3.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0222 1.7253 3.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 1.6073 2.7982 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3828 2.0738 1.3338 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2293 1.1470 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9443 2.0249 0.9757 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4823 2.4375 -0.3420 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8369 3.8787 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5667 1.5140 -1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7942 1.4204 -2.1392 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 0.7436 -1.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2738 -0.1836 -3.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 -0.3822 -3.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 -0.8712 -3.2601 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4984 -0.1142 -2.5374 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7098 -0.8440 -2.1392 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5535 0.0904 -1.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5767 -2.0452 -1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7213 -2.6458 -0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6556 -3.7815 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4467 -4.3717 0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 -5.5344 1.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3075 -3.7917 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -2.6359 -1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7783 0.5614 -1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 0.9159 -0.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7085 -1.0048 2.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -0.7482 4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1778 -1.3471 3.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8584 0.9520 3.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4483 2.7138 2.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3072 0.5344 2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 2.2295 3.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 3.0839 1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6121 0.3097 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7189 1.6725 -0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 0.6768 1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5488 1.0010 1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4247 2.7019 1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6884 2.5521 -0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9135 4.0241 -0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3361 4.1040 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4394 4.5860 0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2661 0.5293 -2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6892 -1.7197 -3.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 0.6948 -3.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2892 -1.0732 -3.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5199 -0.0271 -0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6963 -2.2256 -1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5452 -4.2732 0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4281 -6.4562 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -4.2422 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 -2.2319 -1.3884 H 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 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 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 16 26 1 0 0 0 0 26 27 2 0 0 0 0 26 12 1 0 0 0 0 25 19 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 1 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 1 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 11 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 6 0 0 0 17 48 1 6 0 0 0 18 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 M END > NP0014350 > NP-MRD > [H]O\C(=C1/C(=O)N([H])[C@@]([H])(C1=O)[C@@]([H])(O[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[H] > InChI=1S/C21H27NO5/c1-4-5-6-12(2)11-13(3)18(24)16-20(26)17(22-21(16)27)19(25)14-7-9-15(23)10-8-14/h4-5,7-10,12-13,17,19,23-25H,6,11H2,1-3H3,(H,22,27)/b5-4-,18-16-/t12-,13-,17+,19-/m0/s1 > IWIISBMWNKBQQH-BZDUDZIASA-N > C21H27NO5 > 373.449 > 373.188922973 > 5 > 54 > 40.39703022690223 > 1 > 4 > 0 > 1 > (3Z,5R)-5-[(S)-hydroxy(4-hydroxyphenyl)methyl]-3-[(2S,4S,6Z)-1-hydroxy-2,4-dimethyloct-6-en-1-ylidene]pyrrolidine-2,4-dione > 3.02 > 3.0877704113333335 > -3.53 > 0 > 2 > -1 > 9.409059183310662 > 4.857973087207118 > -1.3745886338481323 > 106.86000000000001 > 104.84049999999999 > 7 > 1 > 1.11e-01 g/l > (3Z,5R)-5-[(S)-hydroxy(4-hydroxyphenyl)methyl]-3-[(2S,4S,6Z)-1-hydroxy-2,4-dimethyloct-6-en-1-ylidene]pyrrolidine-2,4-dione > 0 > NP0014350 > Chaunolidine A $$$$