LMST01020149 LIPID_MAPS_STRUCTURE_DATABASE 53 57 0 0 0 999 V2000 3.7365 6.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3621 8.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4313 7.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4313 6.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3621 6.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2928 6.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2235 6.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1543 6.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1543 7.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2235 8.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2928 7.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2235 9.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1543 9.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 9.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 8.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9465 8.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9465 9.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0159 9.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 10.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2928 8.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0159 10.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6186 10.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1543 8.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2032 7.3864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 7.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2928 5.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8180 11.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8180 12.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0159 12.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 12.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 11.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0159 13.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8124 9.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6782 9.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5441 9.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6782 8.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4374 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5819 6.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7228 6.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8672 6.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0083 6.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1528 6.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2764 6.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4003 6.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 6.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 6.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2281 6.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1041 6.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9804 6.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8562 7.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8562 6.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3051 6.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1694 6.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 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 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 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 21 1 0 0 0 0 2 11 1 0 0 0 0 6 11 1 0 0 0 0 10 11 1 0 0 0 0 9 15 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 1 0 0 0 11 20 1 1 0 0 0 18 22 1 6 0 0 0 9 23 1 1 0 0 0 10 24 1 6 0 0 0 15 25 1 1 0 0 0 6 26 1 1 0 0 0 21 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 21 2 0 0 0 0 29 32 2 0 0 0 0 4 1 1 1 0 0 0 17 33 1 1 0 0 33 34 1 0 0 0 34 35 1 0 0 0 34 36 2 0 0 0 51 1 1 0 0 0 38 37 1 0 0 0 39 38 1 0 0 0 40 39 1 0 0 0 41 40 1 0 0 0 42 41 1 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 51 49 1 0 0 0 0 51 50 2 0 0 0 0 37 52 1 0 0 0 52 53 1 0 0 0 M END > LMST01020149 > 3-(hexadecanoyl)-bufotalin > 3beta,14beta-dihydroxy-16beta-acetoxy-5beta-bufa-20,22-dienolide-3beta-yl-hexadecanoate > C42H66O7 > 682.48 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > Bufotalin-3-(hexadecanoic acid) ester; Bufotalin-3-(hexadecanoate) > - > - > - > - > - > - > - > - > - > - > - > - > Active > - > https://dev.lipidmaps.org/databases/lmsd/LMST01020149 $$$$