Mrv1652306242119513D 34 35 0 0 0 0 999 V2000 -2.4539 -2.5072 -0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -1.2080 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3654 -1.0602 0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8833 0.1377 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2648 0.2382 0.8585 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0886 1.2320 0.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7079 1.0891 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 2.2422 0.8011 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -0.1178 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 -0.2686 -0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2618 -1.3824 -0.4631 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 0.7361 0.0699 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 0.6238 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 0.8642 -1.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4217 0.7471 -1.5538 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 0.0864 -0.6064 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6992 0.4110 -0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 0.5460 0.7872 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3887 0.2275 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9766 -0.3485 1.9572 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7598 -2.9529 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3223 -3.2172 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -2.4484 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0338 -1.9007 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8681 0.5117 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5306 2.1564 1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 2.3717 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 1.1609 -2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1487 -1.0176 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0928 -0.1499 -1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8919 1.4880 -0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2557 0.0214 0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 0.0348 1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0221 1.6530 0.8305 H 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 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 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 9 2 1 0 0 0 0 19 13 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 3 24 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 8 27 1 0 0 0 0 14 28 1 0 0 0 0 16 29 1 1 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M END > NP0013999 > NP-MRD > [H]OC1=C([H])C(O[H])=C(C(=O)OC2=C([H])O[C@@]([H])(C([H])([H])[H])C([H])([H])C2=O)C(=C1[H])C([H])([H])[H] > InChI=1S/C14H14O6/c1-7-3-9(15)5-11(17)13(7)14(18)20-12-6-19-8(2)4-10(12)16/h3,5-6,8,15,17H,4H2,1-2H3/t8-/m0/s1 > DWLLTZQBTFJUAM-UHFFFAOYSA-N > C14H14O6 > 278.26 > 278.079038171 > 5 > 34 > 27.711281149668913 > 1 > 2 > 0 > 1 > (2S)-2-methyl-4-oxo-3,4-dihydro-2H-pyran-5-yl 2,4-dihydroxy-6-methylbenzoate > 2.08 > 2.742538316333333 > -2.83 > 0 > 2 > 0 > 10.502379127348538 > 8.643564109101074 > -4.006683690183679 > 93.06 > 70.9229 > 3 > 1 > 4.14e-01 g/l > (6S)-6-methyl-4-oxo-5,6-dihydropyran-3-yl 2,4-dihydroxy-6-methylbenzoate > 0 > NP0013999 > Orsellide E $$$$