LMST01020028 LIPID_MAPS_STRUCTURE_DATABASE 55 58 0 0 0 999 V2000 18.1750 9.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1696 11.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3194 11.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3031 10.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0541 11.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0506 10.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8010 10.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8045 11.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9310 11.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1722 10.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0221 12.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9203 12.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7910 13.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9324 13.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6441 12.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5006 13.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3536 12.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2101 13.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0495 9.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3536 11.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4333 9.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4333 8.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3031 8.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1750 8.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5688 10.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7047 9.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7047 8.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5688 8.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4333 10.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8402 8.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7936 12.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1497 13.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3031 9.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0008 8.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1366 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2721 8.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4077 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5432 8.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6789 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8145 8.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0856 8.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0856 10.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 10.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8145 10.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0008 9.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8127 10.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6771 10.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5414 10.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4058 10.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2703 10.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1345 10.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0715 9.6169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4644 9.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8374 9.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 6 7 1 0 0 0 0 1 10 1 1 0 0 0 5 11 1 1 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 13 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 6 19 1 6 0 0 0 17 20 1 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 21 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 22 1 0 0 0 0 21 29 1 1 0 0 0 27 30 1 1 0 0 0 9 31 1 6 0 0 0 12 32 1 6 0 0 0 4 33 1 6 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 41 40 1 0 0 0 0 42 41 1 0 0 0 0 42 43 2 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 34 46 2 0 0 0 0 45 47 2 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 34 30 1 0 0 0 47 53 1 0 0 0 53 54 2 0 0 0 53 55 1 0 0 0 M CHG 2 53 1 55 -1 M END > LMST01020028 > Cholesteryl nitrolinoleate > cholest-5-en-3beta-yl (13-nitro-9Z,12Z-octadecadienoate) > C45H75NO4 > 693.57 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > > DBECUTYNMXMLET-QKBQTZBKSA-N > InChI=1S/C45H75NO4/c1-7-8-16-22-37(46(48)49)23-17-14-12-10-9-11-13-15-18-24-43(47)50-38-29-31-44(5)36(33-38)25-26-39-41-28-27-40(35(4)21-19-20-34(2)3)45(41,6)32-30-42(39)44/h12,14,23,25,34-35,38-42H,7-11,13,15-22,24,26-33H2,1-6H3/b14-12-,37-23+/t35-,38+,39+,40-,41+,42+,44+,45-/m1/s1 > [C@]12(CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C(/[N+]([O-])=O)\CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H] > - > - > - > - > - > - > 24779607 > - > - > - > - > - > 9606 > 12837858 $$$$