Mrv1652309122216252D 26 28 0 0 1 0 999 V2000 1.8651 1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 1.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 1.2753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6417 1.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 0.4710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9527 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5607 -1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 -0.1740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8409 -0.1740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3864 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6763 -1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 -0.6430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9461 -1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 -0.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 -0.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4668 -1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3439 -2.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2348 -1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8798 -1.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 -2.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 0.4710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 11 1 6 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 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 0 0 0 0 16 25 1 0 0 0 0 26 25 1 1 0 0 0 2 26 1 0 0 0 0 13 26 1 0 0 0 0 M END > NP0329749 > NP-MRD > C\C(=C/CO)C(=O)O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)CC2=C)C1=C > InChI=1S/C20H24O6/c1-9(5-6-21)19(23)25-15-8-13-10(2)7-14(22)17-12(4)20(24)26-18(17)16(13)11(15)3/h5,13-18,21-22H,2-4,6-8H2,1H3/b9-5+/t13-,14-,15-,16-,17+,18+/m0/s1 > WWSYEWWKDKWTKC-RAHDRTFYSA-N > C20H24O6 > 360.406 > 360.157288493 > 4 > 50 > 37.56231679235488 > 1 > 2 > 0 > 1 > (3aR,4S,6aR,8S,9aR,9bR)-4-hydroxy-3,6,9-trimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-8-yl (2E)-4-hydroxy-2-methylbut-2-enoate > 1.4314484283333324 > 0 > 3 > 0 > 15.621039670337627 > 14.655712046535282 > -2.552215751920948 > 93.06000000000002 > 94.66209999999998 > 4 > 1 > (3aR,4S,6aR,8S,9aR,9bR)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl (2E)-4-hydroxy-2-methylbut-2-enoate > 0 > NP0329749 > (3ar,4s,6ar,8s,9ar,9br)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl (2e)-4-hydroxy-2-methylbut-2-enoate $$$$