Mrv1652306222023242D 49 48 0 0 1 0 999 V2000 -14.0467 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9598 8.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3322 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9598 7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6177 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 7.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9033 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 6.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1888 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5309 6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4743 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5309 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7599 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8164 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0454 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8164 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3309 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1019 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6164 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3874 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 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 5.9585 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7586 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5296 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8151 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3296 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3862 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4717 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 3.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9007 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9007 2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 6.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 6.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 6.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1862 3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 5.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 6.0474 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4717 4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 18 2 0 0 0 0 19 21 1 4 0 0 0 20 22 1 4 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 37 35 1 0 0 0 0 37 36 1 0 0 0 0 38 33 1 0 0 0 0 39 34 1 0 0 0 0 40 38 2 0 0 0 0 41 39 2 0 0 0 0 45 35 1 0 0 0 0 45 38 1 0 0 0 0 46 36 1 0 0 0 0 37 47 1 1 0 0 0 47 39 1 0 0 0 0 48 42 1 0 0 0 0 48 43 1 0 0 0 0 48 44 2 0 0 0 0 48 46 1 0 0 0 0 37 49 1 1 0 0 0 M END > CDB000994 > CDB > [H][C@@](COC(=O)CCCCCCCC=CCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCC=CCCCCCCCC > InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1 > MHUWZNTUIIFHAS-DIPNUNPCSA-N > C39H73O8P > 700.9659 > 700.504305824 > 5 > 121 > 86.31906934046037 > 0 > 2 > 0 > 0 > [(2R)-2,3-bis(octadec-9-enoyloxy)propoxy]phosphonic acid > 9.13 > 12.93395909733333 > -7.02 > 0 > 0 > -2 > 6.343234649149876 > 1.3174060830586427 > -6.744159310865215 > 119.36000000000003 > 199.2090000000001 > 38 > 0 > 6.69e-05 g/l > (2R)-2,3-bis(octadec-9-enoyloxy)propoxyphosphonic acid > 0 > CDB000994 > PA(18:1(9Z)/18:1(9Z)) $$$$