LMST01020133 LIPID_MAPS_STRUCTURE_DATABASE 49 53 0 0 0 999 V2000 8.1399 8.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2059 8.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2059 7.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 6.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0738 7.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0078 6.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9418 7.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9418 8.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0078 8.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0738 8.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0078 10.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9418 10.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8753 10.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8753 8.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7431 8.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7431 10.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8093 10.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8753 10.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0738 9.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8093 11.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4140 10.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5379 6.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9418 9.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9874 8.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8753 8.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0738 6.5159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6143 11.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6143 12.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8093 13.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0048 12.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0048 11.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8093 13.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6694 7.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6694 8.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7948 6.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9199 7.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0449 6.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1699 7.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2948 6.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4198 7.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4551 7.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3301 6.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 7.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0801 6.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9551 7.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8301 6.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7053 7.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5685 6.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2077 9.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 20 1 0 0 0 1 10 1 0 0 0 5 10 1 0 0 0 9 10 1 0 0 0 8 14 1 0 0 0 13 17 1 0 0 0 13 18 1 1 0 0 10 19 1 1 0 0 17 21 1 6 0 0 3 22 1 1 0 0 8 23 1 1 0 0 9 24 1 6 0 0 14 25 1 1 0 0 5 26 1 1 0 0 20 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 20 2 0 0 0 29 32 2 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 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 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 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 22 33 1 0 0 0 0 19 49 2 0 0 0 M END > LMST01020133 > 3-(14-Hydroxy-7Z-tetradecenoyl)-hellebrigenin > 3beta,5beta,14beta-trihydroxy-19-oxo-bufa-20,22-dienolide-3beta-yl-14-hydroxy-7Z-tetradecenooate > C38H56O8 > 640.40 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > Hellebrigenin-3-(14-hydroxy-7Z-tetradecenoic acid) ester; Hellebrigenin-3-(14-hydroxy-7Z-tetradecenoate) > VLRYFUPSFJQDNL-GZUMSCQLSA-N > InChI=1S/C38H56O8/c1-35-20-17-31-32(38(35,44)23-19-30(35)28-14-15-33(41)45-26-28)18-22-37(43)25-29(16-21-36(31,37)27-40)46-34(42)13-11-9-7-5-3-2-4-6-8-10-12-24-39/h2-3,14-15,26-27,29-32,39,43-44H,4-13,16-25H2,1H3/b3-2-/t29-,30+,31-,32+,35+,36-,37-,38-/m0/s1 > C1[C@]2(C=O)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5=COC(=O)C=C5)CC[C@]4(O)[C@]3([H])CC[C@]2(O)C[C@@H](OC(CCCCC/C=C\CCCCCCO)=O)C1 > - > - > - > - > - > - > - > - > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > 30331 > 39051843 $$$$