Mrv1652306242119563D 36 37 0 0 0 0 999 V2000 0.3435 -2.8433 1.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 -1.9101 1.2784 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4767 -0.9818 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -0.5526 0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7996 -1.1043 1.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9589 0.4732 -0.3129 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0485 0.1057 -1.3823 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7916 0.9956 -2.3615 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5029 1.5054 -2.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 2.3438 -3.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 1.2425 -1.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 0.3814 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3455 0.3518 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 0.0775 1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 0.7629 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 0.7713 0.9787 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7340 -0.0610 0.4211 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 -0.1088 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4655 -2.6740 3.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -3.8492 1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7564 -3.0323 1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 -2.1157 1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9204 -0.4390 2.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8086 -1.1168 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4265 -0.8942 -1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3217 1.8370 -4.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 2.5695 -4.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1071 3.3091 -3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 1.6400 -2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -0.8588 2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 0.2095 2.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 0.9069 2.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8344 1.1172 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 0.3844 1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 1.7768 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 -0.2197 -0.5397 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 4 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 9 11 2 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 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 18 2 0 0 0 0 18 3 1 0 0 0 0 18 7 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 7 25 1 6 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 M END > NP0014494 > NP-MRD > [H]OC([H])([H])C(\[H])=C(\C1=C2C(OC([H])([H])[H])=C(O[C@]2([H])OC(=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C14H18O4/c1-8(5-6-15)11-7-9(2)17-14-12(11)13(16-4)10(3)18-14/h5,7,14-15H,6H2,1-4H3/b8-5+/t14-/m0/s1 > QPENODDIMKOTQK-UHFFFAOYSA-N > C14H18O4 > 250.294 > 250.12050906 > 4 > 36 > 27.677606205765905 > 1 > 1 > 0 > 1 > (2E)-3-[(7aS)-3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl]but-2-en-1-ol > 2.16 > 0.16141671433333427 > -2.34 > 0 > 2 > 0 > 16.45745465911959 > -2.161309332101089 > 47.92 > 73.57379999999999 > 3 > 1 > 1.15e+00 g/l > (2E)-3-[(7aS)-3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl]but-2-en-1-ol > 0 > NP0014494 > Chenopodolan D $$$$