Mrv1652303302019492D 47 46 0 0 1 0 999 V2000 12.6315 -13.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0895 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6315 -12.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3750 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9170 -12.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6605 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9170 -11.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9461 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2025 -10.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2316 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2025 -10.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5171 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4881 -9.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8026 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4881 -8.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0882 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7736 -8.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3737 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7736 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0591 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6592 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3447 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9448 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2303 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9157 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5158 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2012 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8013 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0869 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7723 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0578 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6579 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3434 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1999 -8.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4855 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1999 -7.5572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9435 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9144 -8.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 -6.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 -8.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -7.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9144 -7.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4855 -7.9697 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 19 20 1 4 0 0 0 21 18 1 0 0 0 0 22 20 1 0 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 35 33 1 0 0 0 0 36 34 1 0 0 0 0 39 37 1 0 0 0 0 39 38 1 0 0 0 0 40 35 1 0 0 0 0 41 36 1 0 0 0 0 42 37 1 0 0 0 0 43 40 2 0 0 0 0 44 41 2 0 0 0 0 45 38 1 0 0 0 0 45 40 1 0 0 0 0 39 46 1 6 0 0 0 46 41 1 0 0 0 0 39 47 1 6 0 0 0 M END > CDB000884 > CDB > [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCCCC > InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,39,42H,3-16,18,20-38H2,1-2H3/t39-/m0/s1 > KMWDOOIYMHAOTF-KDXMTYKHSA-N > C41H78O5 > 651.055 > 650.584925606 > 3 > 124 > 86.47199523216278 > 0 > 1 > 0 > 0 > (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl icos-11-enoate > 10.52 > 14.308584115333332 > -7.63 > 0 > 0 > 0 > 14.577784010572557 > -2.983477273775563 > 72.83 > 196.42150000000007 > 39 > 0 > 1.54e-05 g/l > (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl icos-11-enoate > 0 > CDB000884 > DG(18:0/20:1(11Z)/0:0) $$$$