LMST01040216 LIPID_MAPS_STRUCTURE_DATABASE 63 67 0 0 0 999 V2000 12.3283 -7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1565 -8.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3283 -6.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4940 -8.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6593 -7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8246 -8.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 -7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1553 -8.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3207 -7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 -7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6514 -8.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9821 -7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1473 -8.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3127 -7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6433 -8.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 -7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4563 -9.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4563 -10.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3642 -10.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3642 -8.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2837 -10.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2098 -10.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1122 -10.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2837 -9.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1105 -9.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1228 -7.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1927 -7.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2024 -8.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0621 -7.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0581 -8.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9304 -8.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9210 -7.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9932 -7.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5461 -10.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2740 -8.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1254 -8.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0544 -6.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1996 -9.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0572 -9.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9978 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5277 -6.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2292 -5.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8456 -5.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8530 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8069 -5.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8137 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8137 -7.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7413 -5.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9767 -5.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8065 -4.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7145 -3.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5951 -12.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7161 -12.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7923 -10.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1425 -10.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6088 -10.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1333 -11.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1914 -11.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7296 -10.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2051 -10.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7432 -9.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 2 0 0 0 0 1 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 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 26 22 1 0 0 0 0 23 26 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 30 26 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 31 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 31 1 0 0 0 0 32 33 1 0 0 0 0 26 37 1 1 0 0 0 27 38 1 1 0 0 0 31 39 1 1 0 0 0 30 40 1 6 0 0 0 32 41 1 6 0 0 0 27 25 1 0 0 0 0 20 36 1 1 0 0 0 35 42 1 0 0 0 0 35 43 1 6 0 0 0 42 44 1 6 0 0 0 42 45 1 0 0 0 0 45 46 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 48 50 1 0 0 0 0 47 52 1 1 0 0 0 42 51 1 1 0 0 0 52 53 1 0 0 0 0 62 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 1 0 0 58 36 1 1 0 0 59 54 1 6 0 0 60 55 1 1 0 0 61 56 1 6 0 0 63 2 1 0 0 0 M END > LMST01040216 > 16:3-Glc-Sitosterol > 3-O-(6'-O-(7Z,10Z,13Z-hexadecatrienoyl)-beta-D-glucopyranosyl)-stigmast-5-en-3beta-ol > C51H84O7 > 808.62 > Sterol Lipids [ST] > Sterols [ST01] > Stigmasterols and C24-ethyl derivatives [ST0104] > - > > HPSIPZWPAAUBJM-YSCIRNDBSA-N > InChI=1S/C51H84O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h10-11,13-14,16-17,25,35-37,39-44,46-49,53-55H,8-9,12,15,18-24,26-34H2,1-7H3/b11-10-,14-13-,17-16-/t36-,37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1 > C(CCCCC/C=C\C/C=C\C/C=C\CC)(=O)OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2CC3=CC[C@@]4([H])[C@]5([H])CC[C@]([H])([C@@]([H])(CC[C@@H](CC)C(C)C)C)[C@@]5(C)CC[C@]4([H])[C@@]3(C)CC2)O1 > - > - > - > - > - > - > 70699367 > - > - > - > - > - > - > - $$$$