Mrv1652306242120163D 54 54 0 0 0 0 999 V2000 -6.5456 0.5697 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8905 1.1926 -0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7086 0.7624 -1.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 -0.3343 -0.6260 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6474 0.1593 -0.1011 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9557 -0.9625 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -1.3302 0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 -2.3948 0.6638 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1931 -2.0846 1.4435 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2586 -1.2670 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -1.8926 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5273 -1.4578 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2352 -2.4975 -0.6003 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2253 -0.2223 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 0.9689 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8093 2.0990 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 3.2682 0.8764 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 2.0333 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2051 0.8737 -1.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3895 -0.2251 -1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7263 -1.3680 -1.8874 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8505 0.0164 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8626 0.5652 0.8473 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3895 0.7358 -0.7868 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5793 -1.5860 1.7579 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8063 -0.6467 2.7834 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6058 2.2852 -1.6775 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8959 2.7724 -2.7466 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8100 -0.4831 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4944 1.0885 0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9132 0.6185 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2283 1.2029 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7649 -1.1093 -1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 -0.8059 0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0366 0.6186 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8302 0.9708 0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -0.8046 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -3.1871 1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3763 -3.0864 -0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 -3.0031 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 -1.4511 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 -2.9972 0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2013 1.0522 0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9147 3.9421 0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5474 2.9204 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0943 0.8618 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5499 -1.3636 -2.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 0.3396 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0633 -2.4252 2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5942 -1.9504 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4106 0.2214 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6385 1.9606 -1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7692 3.1249 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0414 3.7121 -2.9599 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 5 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 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 10 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 20 14 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 11 42 1 0 0 0 0 15 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 21 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 M END > NP0019422 > NP-MRD > [H]OC(=O)C(=C(\[H])C(=O)C1=C([H])C(O[H])=C([H])C([H])=C1O[H])\C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])O[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])O[H] > InChI=1S/C21H26O7/c1-14(12-22)4-2-5-15(13-23)6-3-7-16(21(27)28)10-20(26)18-11-17(24)8-9-19(18)25/h4,6,8-11,22-25H,2-3,5,7,12-13H2,1H3,(H,27,28)/b14-4+,15-6-,16-10- > SVLCANQQJQTELW-FOTXVZBSSA-N > C21H26O7 > 390.432 > 390.167853177 > 7 > 54 > 41.58766313521653 > 1 > 5 > 0 > 1 > (2Z,5Z,9E)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6-(hydroxymethyl)-10-methylundeca-5,9-dienoic acid > 2.50 > 2.9096308003333338 > -4.67 > 0 > 1 > -1 > 7.647968346848953 > 2.9203511264927418 > -1.9451935208210687 > 135.29 > 107.89759999999997 > 11 > 1 > 8.29e-03 g/l > (2Z,5Z,9E)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6-(hydroxymethyl)-10-methylundeca-5,9-dienoic acid > 0 > NP0019422 > Zizhine M $$$$