LMST05050002 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 12.0092 12.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1243 10.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7790 10.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6640 10.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6640 11.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7790 12.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7790 13.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6640 13.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5488 13.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5488 12.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4338 13.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5488 13.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4338 14.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1417 14.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1618 13.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6640 12.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7596 11.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5488 11.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3187 13.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1243 11.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0092 10.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8940 10.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3187 12.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8940 11.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8940 9.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8940 12.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1715 13.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0092 9.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3365 10.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0563 7.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3092 6.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5674 7.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3090 9.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7985 8.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1854 8.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1854 7.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3090 7.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4383 7.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4383 8.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5674 9.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1342 5.0535 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9538 4.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 5.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1268 4.8786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 20 2 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 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 23 1 0 0 0 0 23 19 1 0 0 0 0 19 11 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 1 24 1 0 0 0 0 22 24 1 0 0 0 0 6 24 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 11 15 1 6 0 0 0 2 29 1 1 0 0 0 5 16 1 1 0 0 0 6 17 1 6 0 0 0 10 18 1 6 0 0 0 21 28 1 1 0 0 0 22 25 1 6 0 0 0 24 26 1 1 0 0 0 26 27 1 0 0 0 0 34 40 1 0 0 0 39 33 1 0 0 0 33 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 1 0 0 36 30 1 6 0 0 37 31 1 1 0 0 38 32 1 6 0 0 31 41 1 0 0 0 41 42 1 0 0 0 41 43 2 0 0 0 41 44 2 0 0 0 35 28 1 1 0 0 M END > LMST05050002 > Ptilosaponoside B > 4-beta-(3'-sulfo-beta-D-glucopyranosyloxy)-5alpha-pregn-20-en-3beta,19-diol > C27H44O11S > 576.26 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Other Steroid conjugates [ST0505] > - > 5alpha-pregn-20-en-3beta,4beta,19-triol 4-(3'-sulfo-beta-D-glucopyranoside) > KTFHNNJQQWKFQS-YFWYBDIGSA-N > InChI=1S/C27H44O11S/c1-3-14-4-6-16-15-5-7-18-23(19(30)9-11-27(18,13-29)17(15)8-10-26(14,16)2)37-25-22(32)24(38-39(33,34)35)21(31)20(12-28)36-25/h3,14-25,28-32H,1,4-13H2,2H3,(H,33,34,35)/t14-,15-,16-,17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27-/m0/s1 > C1[C@]2(CO)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C=C)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])[C@@H](O[C@H]2[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@@H](CO)O2)[C@@H](O)C1 > - > - > - > - > - > - > 42640651 > - > Sterol Lipids [ST] > Steroids [ST02] > C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203] > - > 798311 > 19228002 $$$$