LMST01120023 LIPID_MAPS_STRUCTURE_DATABASE 59 66 0 0 0 999 V2000 20.9554 9.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0708 9.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9554 7.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7250 7.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6096 8.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7250 10.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4659 9.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0663 10.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0708 8.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1859 7.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8401 8.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8401 7.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8401 9.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8401 10.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7250 9.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7250 8.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4943 9.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4943 8.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6096 11.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6096 12.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4943 10.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4943 11.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7098 12.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1517 12.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7304 11.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7366 13.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7737 13.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4320 14.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4659 10.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4528 11.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6096 9.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6096 10.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2052 5.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2088 7.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7061 8.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2090 7.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7087 6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7054 6.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2073 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7076 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2095 9.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2220 5.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2256 7.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7229 8.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2258 7.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7255 6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7222 6.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2241 7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7244 8.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2263 9.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2470 5.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2506 7.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7479 8.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2508 7.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7505 6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7472 6.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7494 8.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2513 9.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 9 3 1 0 0 0 0 3 11 1 0 0 0 0 15 13 1 0 0 0 0 13 11 1 0 0 0 0 11 4 1 0 0 0 0 4 5 1 0 0 0 0 5 31 1 0 0 0 0 31 17 1 0 0 0 0 15 31 1 0 0 0 0 6 15 1 0 0 0 0 19 6 1 0 0 0 0 19 21 1 0 0 0 0 29 21 1 0 0 0 0 21 17 1 0 0 0 0 17 7 1 0 0 0 0 29 8 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 1 0 0 0 11 12 1 1 0 0 0 13 14 1 1 0 0 0 15 16 1 6 0 0 0 17 18 1 1 0 0 0 19 20 1 1 0 0 0 21 22 1 1 0 0 0 29 25 1 0 0 0 0 23 26 1 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 27 24 1 0 0 0 0 24 25 2 0 0 0 0 27 28 2 0 0 0 0 29 30 1 6 0 0 0 31 32 1 1 0 0 0 40 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 49 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 1 0 0 47 42 1 6 0 0 48 43 1 6 0 0 45 34 1 1 0 0 58 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 1 0 0 56 51 1 6 0 0 57 52 1 6 0 0 54 43 1 1 0 0 36 10 1 1 0 0 M END > LMST01120023 > Digoxin > 3beta,12beta,14-trihydroxy-5beta-card-20(22)-enolide 3-O-(tris-beta-D-digitoxoside) > C41H64O14 > 780.43 > Sterol Lipids [ST] > Sterols [ST01] > Cardanolides and derivatives [ST0112] > - > > LTMHDMANZUZIPE-PUGKRICDSA-N > InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1 > C1[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])C[C@@H](O)[C@@]2(C)[C@]3(O)CC[C@]2([H])C2=CC(=O)OC2)C[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)C1 > C06956 > - > 4551 > - > - > - > 52931493 > - > - > - > - > - > 49450 > 8611904 $$$$