Mrv1652309122114422D 47 47 0 0 1 0 999 V2000 -3.1699 -2.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 -3.1518 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.3449 -3.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 -3.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 -3.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8843 -4.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8843 -5.2143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5988 -5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3133 -5.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0277 -5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0277 -6.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7422 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4567 -5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1712 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8856 -5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6001 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3146 -5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0290 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7435 -5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4580 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1725 -5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4580 -4.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 -5.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4554 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4554 -4.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7409 -5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0264 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4025 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8314 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8314 -4.3893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1640 -3.9043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3794 -4.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4189 -3.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 -3.1197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7289 -2.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 -3.9043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2835 -4.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -4.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2396 -5.2212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4112 -6.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 -4.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6374 -4.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2505 -4.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0351 -4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6482 -4.0750 0.0000 C 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 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 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 10 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 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 7 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 32 38 1 0 0 0 0 38 39 1 6 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 6 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 M END > HMDB0267345 > hmdb > CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(O)(O)=O > InChI=1S/C35H63O11P/c1-4-5-12-18-28(36)22-23-31-30(32(37)24-33(31)38)19-14-10-11-16-21-35(40)46-29(26-45-47(41,42)43)25-44-34(39)20-15-9-7-6-8-13-17-27(2)3/h10,14,22-23,27-33,36-38H,4-9,11-13,15-21,24-26H2,1-3H3,(H2,41,42,43)/b14-10+,23-22+/t28-,29+,30+,31+,32-,33+/m0/s1 > WUXHGEKZAREQSB-TUOXZTEFSA-N > C35H63O11P > 690.852 > 690.410799847 > 8 > 110 > 78.51783949927166 > 0 > 5 > 0 > 0 > [(2R)-2-{[(5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoyl]oxy}-3-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid > 4.87 > 6.298175161666666 > -5.86 > 0 > 1 > -2 > 6.34323464735492 > 1.3179001765260936 > -1.626805645781514 > 180.04999999999998 > 183.50250000000003 > 29 > 0 > 9.44e-04 g/l > (2R)-2-{[(5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoyl]oxy}-3-[(10-methylundecanoyl)oxy]propoxyphosphonic acid > 0 > HMDB0267345 > PA(i-12:0/PGF2alpha) $$$$