LMST01010489 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 6.6804 -4.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5532 -4.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5532 -5.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 -6.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8077 -5.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8077 -4.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4260 -4.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2988 -4.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2988 -5.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4260 -6.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4259 -3.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2987 -2.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1715 -3.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1715 -4.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0443 -2.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9172 -3.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9173 -4.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0443 -1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9170 -1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 -1.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9809 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8869 -0.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3989 0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7142 -1.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7158 -1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3286 -1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1978 -0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4008 0.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3018 -1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8959 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4007 2.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8881 1.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3851 2.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4085 2.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0152 -0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6049 -2.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5532 -3.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1715 -2.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -4.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -6.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1702 -5.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4389 -5.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5532 -6.5654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4260 -7.3717 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 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 3 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 8 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 17 1 0 0 0 15 18 1 0 0 0 18 19 1 0 0 0 18 20 1 1 0 0 18 21 1 6 0 0 27 28 1 0 0 0 26 27 1 0 0 0 25 26 1 0 0 0 24 25 1 0 0 0 19 24 1 0 0 0 22 23 1 0 0 0 19 22 1 6 0 0 23 28 1 6 0 0 26 29 1 6 0 0 23 30 1 0 0 0 30 31 1 0 0 0 30 32 1 6 0 0 32 33 1 0 0 0 31 34 1 0 0 0 29 35 1 0 0 0 15 36 1 6 0 0 2 37 1 1 0 0 13 38 1 1 0 0 6 39 1 1 0 0 5 40 1 1 0 0 14 41 1 6 0 0 7 42 1 6 0 0 3 43 1 1 0 0 10 44 2 0 0 0 M END > LMST01010489 > Cyathsterone A > (22R,25R,28R,32R)-2beta,3beta,14alpha,20R-33-pentahydroxy-25-ethyl-28beta-(1-hydroxybutan-2-yl)-6-oxo-5beta-cholest-7-ene-27,29-dioxocan > C33H54O8 > 578.38 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > WOQMCBHIIHXKJT-DLPPYYGGSA-N > InChI=1S/C33H54O8/c1-6-19-8-9-28(41-29(40-18-19)20(7-2)17-34)32(5,38)27-11-13-33(39)22-14-24(35)23-15-25(36)26(37)16-30(23,3)21(22)10-12-31(27,33)4/h14,19-21,23,25-29,34,36-39H,6-13,15-18H2,1-5H3/t19-,20-,21+,23+,25-,26+,27+,28-,29-,30-,31-,32-,33-/m1/s1 > C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@]4(O)CC[C@]([H])([C@@](C)(O)[C@@H]5O[C@H]([C@H](CC)CO)OC[C@H](CC)CC5)[C@@]4(C)CC[C@]3([H])[C@@]12C > - > - > - > ST 33:3;O8 > - > - > 171119984 > - > - > - > - > - > 384660 > 3506544 $$$$