Mrv1652306242119523D 33 34 0 0 0 0 999 V2000 -4.7058 1.4531 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3401 1.2119 0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 -0.0283 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 -1.1768 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8515 -2.3976 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5597 -3.4521 0.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5511 -2.4863 0.2621 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7675 -1.4238 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3821 -0.1908 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5179 1.0103 -0.0697 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6649 0.7191 0.6499 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 -0.2397 -0.0534 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7824 -0.3990 0.3967 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5726 0.8776 0.2412 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5884 1.3027 -1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8909 0.6194 0.6141 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7112 -1.6089 -0.0082 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2618 0.7135 0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1241 1.5288 -0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8418 2.4695 0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5708 -1.1686 0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3184 1.2170 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0487 1.8620 0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 0.1024 -1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2676 -1.1782 -0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 -0.7522 1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2054 1.6921 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5903 1.7329 -1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8643 2.1352 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3808 0.4857 -1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 -0.3253 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -2.2086 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 -2.0971 -0.9943 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 12 17 1 0 0 0 0 9 3 1 0 0 0 0 17 8 1 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 4 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 12 24 1 6 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 1 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 M END > NP0014016 > NP-MRD > [H]O[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]1([H])OC([H])([H])C2=C(OC(=O)C([H])=C2OC([H])([H])[H])C1([H])[H] > InChI=1S/C12H16O5/c1-7(13)3-8-4-11-9(6-16-8)10(15-2)5-12(14)17-11/h5,7-8,13H,3-4,6H2,1-2H3/t7-,8-/m0/s1 > LVPYBBRMUJCOKG-YUMQZZPRSA-N > C12H16O5 > 240.255 > 240.099773615 > 4 > 33 > 24.851546148476377 > 1 > 1 > 0 > 1 > (7S)-7-[(2S)-2-hydroxypropyl]-4-methoxy-2H,5H,7H,8H-pyrano[3,2-c]pyran-2-one > 0.50 > -0.35454767966666617 > -1.80 > 0 > 2 > 0 > 15.579219403579433 > -2.5454494328743547 > 64.99000000000001 > 62.76050000000001 > 3 > 1 > 3.78e+00 g/l > (7S)-7-[(2S)-2-hydroxypropyl]-4-methoxy-5H,7H,8H-pyrano[3,2-c]pyran-2-one > 0 > NP0014016 > Phomopsinone C $$$$