LMST05050004 LIPID_MAPS_STRUCTURE_DATABASE 50 54 0 0 0 999 V2000 12.6812 9.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7789 7.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4863 7.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3888 7.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3888 8.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4863 9.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4863 10.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3888 11.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2912 10.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2912 9.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1937 11.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2912 11.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3627 9.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4905 8.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3172 8.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0962 10.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7789 8.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6812 7.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5837 7.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0962 9.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5837 8.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5837 7.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5837 10.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9753 7.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9156 12.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6231 10.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6231 11.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5256 12.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8181 11.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8181 11.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2912 12.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1937 11.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9238 12.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7205 12.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7205 13.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6231 13.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6067 9.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0758 10.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9704 5.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9846 5.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0084 7.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4920 8.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0355 8.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9847 7.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4823 6.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 6.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9990 7.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5014 8.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0132 9.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4371 10.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 17 2 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 19 3 1 0 0 0 0 3 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 1 0 0 0 0 10 20 1 0 0 0 0 20 16 1 0 0 0 0 16 11 2 0 0 0 0 11 32 1 0 0 0 0 32 25 1 0 0 0 0 1 21 1 0 0 0 0 19 21 1 0 0 0 0 6 21 1 0 0 0 0 5 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 1 0 0 0 2 24 1 1 0 0 0 5 13 1 1 0 0 0 6 14 1 6 0 0 0 10 15 1 1 0 0 0 19 22 1 6 0 0 0 21 23 1 1 0 0 0 25 29 1 0 0 0 0 29 34 1 0 0 0 0 34 27 1 0 0 0 0 27 26 1 0 0 0 0 27 28 1 0 0 0 0 29 30 2 0 0 0 0 32 31 1 0 0 0 0 32 33 1 1 0 0 0 34 35 1 6 0 0 0 35 36 1 0 0 0 0 20 37 2 0 0 0 0 16 38 1 0 0 0 0 43 49 1 0 0 0 48 42 1 0 0 0 42 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 1 0 0 44 24 1 1 0 0 45 39 1 6 0 0 46 40 1 1 0 0 47 41 1 6 0 0 49 50 2 0 0 0 M END > LMST05050004 > Pandaroside B > 3beta-[beta-glucopyranosyloxyuronic acid]-16-hydroxy-5alpha,14beta-poriferast-16-ene-15,23-dione > C35H54O10 > 634.37 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Other Steroid conjugates [ST0505] > - > > NRXAOKUYKSNYAW-HDRDTERVSA-N > InChI=1S/C35H54O10/c1-7-20(16(2)3)23(36)14-17(4)24-26(37)27(38)25-21-9-8-18-15-19(10-12-34(18,5)22(21)11-13-35(24,25)6)44-33-30(41)28(39)29(40)31(45-33)32(42)43/h16-22,25,28-31,33,37,39-41H,7-15H2,1-6H3,(H,42,43)/t17-,18+,19+,20-,21-,22+,25+,28+,29+,30-,31+,33-,34+,35-/m1/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)C([C@]([H])(C)CC(=O)[C@H](CC)C(C)C)=C(O)C(=O)[C@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)C1 > - > - > 187613 > - > - > - > 44191571 > - > Sterol Lipids [ST] > Sterols [ST01] > Stigmasterols and C24-ethyl derivatives [ST0104] > - > 458511 > 19541002 $$$$