LMST01060017 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 8.3832 8.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 7.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 6.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3832 6.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3451 6.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3073 6.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2696 6.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2696 7.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3073 8.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3451 7.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3073 9.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2696 10.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2316 9.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2316 8.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 8.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 9.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1939 10.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2316 10.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3451 8.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1939 11.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2890 11.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9636 11.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7333 11.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5029 11.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2726 11.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0424 11.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2726 10.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8169 10.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1939 11.9506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 6.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5013 12.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2696 8.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2864 7.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2316 7.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7333 10.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6585 11.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1357 6.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4412 10.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2697 11.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4412 11.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5752 11.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3073 11.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 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 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 9 10 1 0 0 0 0 8 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 10 19 1 1 0 0 0 20 21 1 6 0 0 0 17 28 1 6 0 0 0 20 29 1 1 0 0 0 3 30 1 1 0 0 0 24 31 1 6 0 0 0 8 32 1 1 0 0 0 9 33 1 6 0 0 0 14 34 1 6 0 0 0 23 35 1 0 0 0 0 22 36 1 1 0 0 0 23 36 1 1 0 0 0 7 37 1 6 0 0 11 38 1 6 0 0 12 39 1 1 0 0 38 40 1 0 0 0 40 41 2 0 0 0 40 42 1 0 0 0 M END > LMST01060017 > > Gorgost-5-en-3beta,7alpha,11alpha,12beta-tetrol 11-acetate > C32H52O5 > 516.38 > Sterol Lipids [ST] > Sterols [ST01] > Gorgosterols and derivatives [ST0106] > - > Gorgost-5-en-11alpha-acetoxy-3beta,7alpha,11alpha,12beta-triol > PDGZNZCIBVLEFZ-XFYLPZKTSA-N > InChI=1S/C32H52O5/c1-16(2)18(4)31(7)15-24(31)17(3)22-9-10-23-26-25(35)14-20-13-21(34)11-12-30(20,6)27(26)28(37-19(5)33)29(36)32(22,23)8/h14,16-18,21-29,34-36H,9-13,15H2,1-8H3/t17-,18+,21-,22+,23-,24+,25+,26+,27+,28-,29+,30-,31+,32+/m0/s1 > C1[C@]2(C)[C@@]3([H])[C@H](OC(C)=O)[C@@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)[C@H]5C[C@]5(C)[C@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@@H](O)C1 > - > - > - > ST 32:3;O5 > - > - > 101535293 > - > - > - > - > - > 1074818 > 5432671 $$$$