Mrv1652306242119543D 58 58 0 0 0 0 999 V2000 -7.3147 -0.6033 2.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1608 -1.2126 1.5163 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8968 -0.4080 0.2596 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5454 1.0214 0.5785 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3373 1.1172 1.4176 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0462 0.6166 0.8677 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6967 1.3674 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 0.8774 -1.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5093 -0.4921 -1.8917 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4019 -1.2559 -2.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1597 -1.0111 -2.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4368 0.2903 -2.4082 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6082 0.0479 -1.4102 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6412 -0.8647 -1.9427 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7327 -1.0368 -0.8976 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4277 0.2405 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 1.2891 -1.2053 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4462 0.3269 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7844 -0.7911 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1572 -2.0094 0.9381 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7308 -0.7397 2.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3839 0.4281 2.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3400 0.4959 3.5505 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0404 1.5310 1.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0782 1.5155 0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8329 2.6812 0.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9345 -0.1664 3.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1189 -1.3492 2.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8179 0.1624 1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2875 -1.2730 2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4305 -2.2389 1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8442 -0.3697 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0823 -0.8514 -0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4538 1.5316 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4240 1.5515 1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2375 2.1968 1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4779 0.5829 2.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2564 0.8898 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9739 -0.4718 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6314 2.4750 -0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2571 1.6396 -2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3565 -0.6380 -2.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9368 -1.1364 -1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 -2.3296 -2.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 -1.8391 -3.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9592 0.7257 -3.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1511 1.0238 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0971 -0.4885 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 1.0415 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 -0.4162 -2.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 -1.8559 -2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1883 -1.3416 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 -1.8210 -1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3887 -2.8389 1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 -1.6359 2.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3183 0.3243 3.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5374 2.4815 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2783 3.0136 -0.5729 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 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 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 18 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 26 58 1 0 0 0 0 M END > NP0014308 > NP-MRD > [H]OC1=C([H])C(O[H])=C(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(O[H])=C1[H] > InChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)22-20(25)16-18(23)17-21(22)26/h7-8,10-11,16-17,23,25-26H,2-6,9,12-15H2,1H3/b8-7-,11-10- > OLPSQQCRGWVMPG-NQLNTKRDSA-N > C22H32O4 > 360.494 > 360.23005951 > 4 > 58 > 42.206783124474114 > 0 > 3 > 0 > 0 > (6Z,9Z)-1-(2,4,6-trihydroxyphenyl)hexadeca-6,9-dien-1-one > 6.58 > 7.676282548333333 > -4.65 > 0 > 1 > 0 > 9.680069656299498 > 7.972187106529962 > -4.608254156990456 > 77.76 > 109.07659999999997 > 13 > 0 > 8.16e-03 g/l > (6Z,9Z)-1-(2,4,6-trihydroxyphenyl)hexadeca-6,9-dien-1-one > 0 > NP0014308 > Moniliferanone D $$$$