Mrv1652306242119513D 41 42 0 0 0 0 999 V2000 -1.4477 2.4646 1.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3802 1.1680 2.1281 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5479 0.1623 1.3294 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1360 0.5324 1.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5402 -0.4988 0.3173 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8618 -0.1842 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 -0.9559 -0.7521 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4191 -1.3733 -1.8745 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5673 -0.1119 -1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8572 -0.1021 -2.0812 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 1.2383 -0.1458 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1013 0.9460 -0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8571 -0.1499 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -1.2580 -0.0812 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3242 -0.1007 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0572 -1.2773 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3957 -2.5884 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 -1.1902 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0383 0.0589 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4438 0.1082 -0.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3246 1.2091 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 1.1634 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2698 2.3587 -0.1683 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 2.7897 1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 2.7724 1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2237 3.1162 2.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6705 -0.5711 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7452 -1.3614 1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7189 0.0353 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3706 0.6178 0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5143 -1.0969 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 -2.0235 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9891 -2.1490 -1.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 1.4289 -0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7339 -2.6913 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1944 -3.3727 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 -2.8971 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0501 -2.0779 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8988 0.9982 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 2.1837 -0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3652 2.6796 -0.1707 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 5 7 1 0 0 0 0 7 8 1 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 11 12 1 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 2 0 0 0 0 16 17 1 0 0 0 0 16 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 2 0 0 0 0 22 23 1 0 0 0 0 11 3 1 0 0 0 0 22 15 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 3 27 1 1 0 0 0 5 28 1 1 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 1 0 0 0 8 33 1 0 0 0 0 11 34 1 6 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > NP0013995 > NP-MRD > [H]OC1=C([H])C(=C(C(=O)O[C@@]2([H])C(=O)[C@]([H])(O[H])[C@@]([H])(O[C@]2([H])OC([H])([H])[H])C([H])([H])[H])C(O[H])=C1[H])C([H])([H])[H] > InChI=1S/C15H18O8/c1-6-4-8(16)5-9(17)10(6)14(20)23-13-12(19)11(18)7(2)22-15(13)21-3/h4-5,7,11,13,15-18H,1-3H3/t7-,11+,13-,15-/m0/s1 > NIESVUZNUQXFRG-UHFFFAOYSA-N > C15H18O8 > 326.301 > 326.10016754 > 7 > 41 > 31.696931458068214 > 1 > 3 > 0 > 1 > (2S,3R,5R,6S)-5-hydroxy-2-methoxy-6-methyl-4-oxooxan-3-yl 2,4-dihydroxy-6-methylbenzoate > 1.05 > 2.4242640213333333 > -1.55 > 0 > 2 > 0 > 10.469897682797233 > 8.687574177893925 > -3.9597497180720334 > 122.52000000000001 > 77.18920000000001 > 4 > 1 > 9.21e+00 g/l > (2S,3R,5R,6S)-5-hydroxy-2-methoxy-6-methyl-4-oxooxan-3-yl 2,4-dihydroxy-6-methylbenzoate > 0 > NP0013995 > Orsellide A $$$$