LMST01020064 LIPID_MAPS_STRUCTURE_DATABASE 54 57 0 0 0 0 0 0 0 0999 V2000 17.7100 6.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7100 5.3873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3665 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3665 6.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0312 5.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7009 5.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3536 5.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0312 6.1538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3625 6.2137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3609 7.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6886 7.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6955 6.5435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0402 7.3271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0376 6.5506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3818 6.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3846 7.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7138 7.7156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0517 5.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9860 6.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3629 6.9201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0156 8.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7162 8.4736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3743 8.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8971 8.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7147 9.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0292 8.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3421 8.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6934 5.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0366 5.7957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4685 7.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3395 7.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3879 5.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7242 5.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0603 5.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3965 5.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7327 5.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0689 5.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4051 5.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7413 5.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3879 6.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6871 8.8456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.6871 9.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3510 9.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0775 5.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3109 5.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6471 5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9832 5.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3194 5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6555 5.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9916 5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3278 5.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 8 4 1 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 12 8 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 13 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 1 0 0 0 0 14 15 1 0 0 0 0 2 18 1 1 0 0 0 8 19 1 1 0 0 0 9 20 1 1 0 0 0 13 21 1 1 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 6 0 0 0 22 25 1 1 0 0 0 23 26 2 0 0 0 0 26 42 1 0 0 0 0 42 27 1 0 0 0 0 27 28 1 0 0 0 0 12 29 1 6 0 0 0 14 30 1 6 0 0 0 17 31 1 6 0 0 0 27 32 1 0 0 0 0 9 7 1 0 0 0 0 33 18 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 45 40 1 0 0 0 0 33 41 2 0 0 0 0 42 43 1 1 0 0 0 43 44 1 0 0 0 0 45 46 2 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 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 M END > LMST01020064 > 18:1 Stigmasterol ester > Stigmast-5,22E-dien-3beta-yl (9Z-octadecenoate) > C47H80O2 > 676.62 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > > FBQNVDGEJMFTTK-FPTIKDCHSA-N > InChI=1S/C47H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h16-17,25-27,36-38,40-44H,8-15,18-24,28-35H2,1-7H3/b17-16-,26-25+/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1 > C1[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@]([H])(C)/C=C/[C@@H](CC)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]2(C)C1 > - > - > - > - > - > - > 68531691 > - > - > - > - > - > 3702 > 21382968 $$$$