Mrv1652306242119543D 40 41 0 0 0 0 999 V2000 -2.1779 3.2195 0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7656 2.0486 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1262 1.7595 0.5597 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 0.3837 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3841 -0.2565 0.2727 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9993 -0.1167 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0991 0.8504 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7686 0.6589 -0.5181 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2784 -0.6247 -0.8864 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1698 -0.6963 -0.4684 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8807 0.4334 -1.2273 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3479 0.4595 -0.8857 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6042 0.6806 0.5762 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1270 0.6810 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 -1.6685 -0.2424 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0103 -1.5272 1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7201 -2.9272 -0.6785 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5568 -1.4442 -0.7092 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4067 -2.4627 -0.2902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 3.3736 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7381 4.0676 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8609 2.3890 0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3387 -0.7192 -1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -1.6584 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 -0.4572 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8048 0.2362 -2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4145 1.3971 -1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 -0.4793 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8123 1.2768 -1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1605 1.6283 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 -0.1643 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3995 0.7442 1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4901 1.5510 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4890 -0.2463 0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1549 -2.1723 1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7965 -0.4789 1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9206 -1.8563 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 -3.4924 0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5341 -1.4175 -1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0326 -2.9730 0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 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 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 9 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 6 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 7 2 1 0 0 0 0 18 6 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 3 22 1 0 0 0 0 9 23 1 6 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 6 0 0 0 19 40 1 0 0 0 0 M END > NP0014349 > NP-MRD > [H]O[C@@]1([H])C2=C(O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]1(O[H])C([H])([H])[H])C(=C([H])[H])N([H])C2=O > InChI=1S/C14H21NO4/c1-4-5-6-7-9-14(3,18)12(16)10-11(19-9)8(2)15-13(10)17/h9,12,16,18H,2,4-7H2,1,3H3,(H,15,17)/t9-,12-,14-/m0/s1 > BFRMUWSVGIMJSJ-WFBYXXMGSA-N > C14H21NO4 > 267.325 > 267.14705816 > 4 > 40 > 28.875049879527943 > 1 > 3 > 0 > 1 > (2S,3R,4S)-3,4-dihydroxy-3-methyl-7-methylidene-2-pentyl-2H,3H,4H,5H,6H,7H-pyrano[2,3-c]pyrrol-5-one > 1.66 > 0.16237456400000044 > -1.36 > 0 > 2 > 0 > 12.898286640998357 > 9.85459653834231 > -3.6618050461553873 > 78.79 > 71.7829 > 4 > 1 > 1.16e+01 g/l > (2S,3R,4S)-3,4-dihydroxy-3-methyl-7-methylidene-2-pentyl-2H,4H,6H-pyrano[2,3-c]pyrrol-5-one > 0 > NP0014349 > Paraphaeosphaeride C $$$$