Marvin 02201313272D 50 53 0 0 1 0 999 V2000 6.9288 -3.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2144 -3.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9288 -5.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3577 -5.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0721 -4.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6432 -3.9331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3577 -2.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0721 -2.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5712 -3.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0562 -3.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6432 -3.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3577 -3.5206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3577 -4.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0721 -3.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7867 -3.5206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7867 -2.6956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7867 -1.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7867 -4.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0003 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2858 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4293 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4293 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1437 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8568 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5712 -1.6157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7147 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7147 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5712 -2.4407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2858 -2.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6432 -4.7581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6432 -5.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2144 -4.7581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4998 -5.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4998 -5.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2142 -6.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7854 -6.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9287 -5.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6432 -6.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3576 -5.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0721 -6.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7866 -5.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5011 -6.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5011 -7.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7867 -7.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0722 -7.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3577 -7.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6432 -7.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9288 -7.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2143 -7.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4998 -7.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 16 8 1 0 0 0 0 15 14 1 0 0 0 0 15 9 1 0 0 0 0 12 7 1 0 0 0 0 12 6 1 0 0 0 0 14 12 1 0 0 0 0 14 5 2 0 0 0 0 6 30 1 0 0 0 0 6 11 1 1 0 0 0 6 1 1 0 0 0 0 10 28 1 0 0 0 0 7 8 1 0 0 0 0 10 9 1 0 0 0 0 4 5 1 0 0 0 0 30 3 1 0 0 0 0 30 4 1 0 0 0 0 2 1 1 0 0 0 0 32 3 1 0 0 0 0 32 2 1 0 0 0 0 12 13 1 6 0 0 0 15 18 1 6 0 0 0 16 17 1 1 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 25 1 0 0 0 0 25 28 1 0 0 0 0 21 26 1 0 0 0 0 23 21 1 0 0 0 0 21 22 1 0 0 0 0 25 24 1 6 0 0 0 26 27 2 0 0 0 0 28 29 1 6 0 0 0 30 31 1 6 0 0 0 32 33 1 1 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 44 43 2 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 33 34 1 0 0 0 0 42 43 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 M END > CHEBI:52376 > episteryl palmitoleate > An episterol ester obtained by formal condensation of the carboxy group of palmitoleic acid with the hydroxy group of episterol. > 3 > episterol palmitoleate > 5alpha-ergosta-7,24(28)-dien-3beta-yl (9Z)-hexadec-9-enoate > C44H74O2 > 635.05720 > 634.56888 > 0 > [H][C@@]12CC=C3[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@@H](C2)OC(=O)CCCCCCC\C=C/CCCCCC > InChI=1S/C44H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h13-14,25,33,35-37,39-41H,4,8-12,15-24,26-32H2,1-3,5-7H3/b14-13-/t35-,36+,37+,39-,40+,41+,43+,44-/m1/s1 > SYZHHZICOBPDNN-ADJCQIKLSA-N > LMST01031009 $$$$