Mrv1652309022217012D 30 33 0 0 1 0 999 V2000 0.2962 -4.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3824 -3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1361 -3.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -3.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1988 -2.2665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5549 -1.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 -1.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6199 -2.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7061 -2.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2873 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2011 -0.8117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8686 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6532 -0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1381 0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6532 0.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8686 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4474 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -0.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 -0.1406 0.0000 O 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 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 10 1 6 0 0 0 7 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 7 16 1 0 0 0 0 16 17 2 0 0 0 0 5 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 23 27 2 0 0 0 0 22 28 1 0 0 0 0 28 29 1 0 0 0 0 18 29 1 0 0 0 0 29 30 2 0 0 0 0 M END > NP0157598 > NP-MRD > CC(=O)O[C@H](C[C@@]12COC(=O)[C@@H]1CC=CC2=O)C1=C(C)C[C@@H](OC1=O)C1=COC=C1 > InChI=1S/C22H22O8/c1-12-8-16(14-6-7-27-10-14)30-21(26)19(12)17(29-13(2)23)9-22-11-28-20(25)15(22)4-3-5-18(22)24/h3,5-7,10,15-17H,4,8-9,11H2,1-2H3/t15-,16+,17+,22+/m0/s1 > LDAPWINSHSPWIW-QNFHRHJVSA-N > C22H22O8 > 414.41 > 414.131467668 > 4 > 52 > 40.449582548922265 > 1 > 0 > 0 > 1 > (1R)-2-[(3aS,7aR)-1,4-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-3a-yl]-1-[(6R)-6-(furan-3-yl)-4-methyl-2-oxo-5,6-dihydro-2H-pyran-3-yl]ethyl acetate > 1.95 > 2.326725519 > -3.64 > 1 > 4 > 0 > 14.741996306171636 > -2.8851021601333446 > 109.11000000000001 > 103.24109999999999 > 6 > 1 > 9.42e-02 g/l > (1R)-2-[(3aS,7aR)-1,4-dioxo-7,7a-dihydro-3H-2-benzofuran-3a-yl]-1-[(6R)-6-(furan-3-yl)-4-methyl-2-oxo-5,6-dihydropyran-3-yl]ethyl acetate > 0 > NP0157598 > (1r)-2-[(3as,7ar)-1,4-dioxo-7,7a-dihydro-3h-2-benzofuran-3a-yl]-1-[(6r)-6-(furan-3-yl)-4-methyl-2-oxo-5,6-dihydropyran-3-yl]ethyl acetate $$$$