LMFA05000740 LIPID_MAPS_STRUCTURE_DATABASE 36 35 0 0 0 999 V2000 -0.4323 -0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 -0.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1749 -1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0464 -1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9178 -2.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7893 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6607 -2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5322 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4037 -2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2751 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1466 -2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0180 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8895 -2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7609 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6324 -2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5039 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3753 -2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2468 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1182 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9897 -2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8612 -1.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7326 -1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6041 -1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.4755 -1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.3470 -1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.2185 -1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.0899 -1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.9614 -1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.8328 -1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.7043 -1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.5758 -1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.4472 -1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.3187 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7893 -3.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.5758 -2.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 0 0 0 0 3 4 3 0 0 0 0 4 5 1 0 0 0 0 5 6 3 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 1 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 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 3 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 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 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 3 0 0 0 0 7 35 1 0 0 0 0 32 36 1 0 0 0 0 M END > LMFA05000740 > (-)-Pellynol C > Tritriaconta-18Z,29E-dien-2,4,20,32-tetrayne-1,6,31-triol > C33H48O3 > 492.36 > Fatty Acyls [FA] > Fatty alcohols [FA05] > > - > > LNKXNLNNKBMGQR-VTHIMXSSSA-N > InChI=1S/C33H48O3/c1-2-32(35)28-24-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-25-29-33(36)30-26-23-27-31-34/h1,3-4,24,28,32-36H,6,8-22,25,29,31H2/b4-3-,28-24+ > C(C#CC#CC(O)CCCCCCCCCCC/C=C\C#CCCCCCCC/C=C/C(O)C#C)O > - > - > - > FOH 33:10;O2 > - > - > 10696478 > - > - > - > - > - > 68563 > 23368996 $$$$