Mrv1533004241506522D 26 25 0 0 0 0 999 V2000 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 3.5724 0.0000 C 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 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 4 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 4 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 4 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 15 22 1 0 0 0 0 11 23 1 0 0 0 0 23 24 1 0 0 0 0 7 25 1 0 0 0 0 2 26 1 0 0 0 0 M END > NP0300400 > NP-MRD > CC(C)=CCC(O)C(C)=CCCC(CO)=CCCC(C)=CCOC(C)=O > InChI=1S/C22H36O4/c1-17(2)12-13-22(25)19(4)9-7-11-21(16-23)10-6-8-18(3)14-15-26-20(5)24/h9-10,12,14,22-23,25H,6-8,11,13,15-16H2,1-5H3 > PQGMCBMSYRPHIV-UHFFFAOYSA-N > C22H36O4 > 364.526 > 364.261359639 > 3 > 62 > 43.88786177327578 > 1 > 2 > 0 > 1 > 12-hydroxy-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-yl acetate > 4.42 > 3.7513550326666665 > -4.71 > 0 > 0 > 0 > 18.18181715190143 > 16.95155850779951 > -1.2965979181503657 > 66.76 > 111.22899999999998 > 13 > 1 > 7.11e-03 g/l > 12-hydroxy-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-yl acetate > 0 > NP0300400 > 12-hydroxy-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-yl acetate $$$$