Mrv1652306242119523D 33 34 0 0 0 0 999 V2000 3.5462 -0.9064 1.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2421 -0.4347 0.9554 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5710 0.7585 0.1223 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4200 1.3859 -0.5918 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4785 1.8034 0.3441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 1.9029 -0.1639 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2066 0.4984 -0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3195 -0.0938 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1571 0.6402 0.8641 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3136 -0.0094 1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5412 -1.4096 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 -2.0072 -1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8045 -3.2027 -1.4583 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5371 -1.4008 -1.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -0.1703 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8616 0.6411 -1.7285 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7174 -0.2086 -2.3886 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -2.0090 1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3347 -0.7446 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7892 -0.3266 2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 -0.2203 1.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8985 -1.3075 0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 1.5201 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 0.4566 -0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8301 2.3584 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4404 2.3834 0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8169 2.4721 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0808 -1.0217 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0491 -0.1795 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7736 0.5794 2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4217 -1.9291 0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 1.3367 -2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5506 -1.1554 -2.1523 H 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 4 1 0 0 0 0 15 7 2 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 6 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 16 32 1 6 0 0 0 17 33 1 0 0 0 0 M END > NP0014017 > NP-MRD > [H]O[C@@]1([H])C2=C(C(OC([H])([H])[H])=C([H])C(=O)O2)C([H])([H])O[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C12H16O5/c1-3-4-8-11(14)12-7(6-16-8)9(15-2)5-10(13)17-12/h5,8,11,14H,3-4,6H2,1-2H3/t8-,11+/m0/s1 > VWYYNACOORUTNR-GZMMTYOYSA-N > C12H16O5 > 240.255 > 240.099773615 > 4 > 33 > 24.197369499292893 > 1 > 1 > 0 > 1 > (7S,8R)-8-hydroxy-4-methoxy-7-propyl-2H,5H,7H,8H-pyrano[3,2-c]pyran-2-one > 0.91 > 0.4926239023333337 > -1.70 > 0 > 2 > 0 > 12.846959207792036 > -3.740540042511763 > 64.99000000000001 > 62.154700000000005 > 3 > 1 > 4.75e+00 g/l > (7S,8R)-8-hydroxy-4-methoxy-7-propyl-5H,7H,8H-pyrano[3,2-c]pyran-2-one > 0 > NP0014017 > Phomopsinone D $$$$