Mrv1652306242119513D 35 36 0 0 0 0 999 V2000 -2.7743 -2.0864 1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1008 -0.7372 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4187 -0.3382 0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8407 0.8960 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2009 1.2216 0.4465 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9231 1.7607 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5865 1.3921 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 2.3236 -0.7248 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1774 0.1556 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 -0.2876 0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -1.4460 0.5925 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2451 0.4666 -0.2924 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5699 0.0635 -0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 -0.5515 -1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3401 -0.9813 -1.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3597 -0.5400 -0.6609 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8987 0.7841 -1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8742 -0.3478 0.7416 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7989 -1.5330 1.4534 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5255 0.2744 0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 1.0157 1.6898 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -2.1363 2.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3475 -2.7308 0.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7476 -2.6134 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1981 -1.0083 1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4823 2.1173 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2426 2.7341 -0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7588 2.3112 -0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3689 -0.7472 -2.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -1.2699 -0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3212 0.6827 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6805 1.1654 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0665 1.5139 -1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5488 0.3452 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8684 -1.8690 1.4296 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 18 20 1 0 0 0 0 20 21 2 0 0 0 0 9 2 1 0 0 0 0 20 13 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 3 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 8 28 1 0 0 0 0 14 29 1 0 0 0 0 16 30 1 1 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 1 0 0 0 19 35 1 0 0 0 0 M END > NP0013998 > NP-MRD > [H]OC1=C([H])C(O[H])=C(C(=O)OC2=C([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C2=O)C(=C1[H])C([H])([H])[H] > InChI=1S/C14H14O7/c1-6-3-8(15)4-9(16)11(6)14(19)21-10-5-20-7(2)12(17)13(10)18/h3-5,7,12,15-17H,1-2H3/t7-,12-/m0/s1 > UHZJMMJGXFWMBG-UHFFFAOYSA-N > C14H14O7 > 294.259 > 294.073952791 > 6 > 35 > 28.198336068809756 > 1 > 3 > 0 > 1 > (2S,3S)-3-hydroxy-2-methyl-4-oxo-3,4-dihydro-2H-pyran-5-yl 2,4-dihydroxy-6-methylbenzoate > 1.32 > 2.0273798556666667 > -2.17 > 0 > 2 > 0 > 10.495480688255073 > 8.643196970957977 > -3.9761412615402945 > 113.29000000000002 > 72.2611 > 3 > 1 > 2.01e+00 g/l > (5S,6S)-5-hydroxy-6-methyl-4-oxo-5,6-dihydropyran-3-yl 2,4-dihydroxy-6-methylbenzoate > 0 > NP0013998 > Orsellide D $$$$