LMST01010432 LIPID_MAPS_STRUCTURE_DATABASE 47 52 0 0 0 999 V2000 8.3775 9.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 8.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 7.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3775 7.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2299 7.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0484 7.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9009 7.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9009 8.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0484 9.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2299 8.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0484 10.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9009 10.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7193 10.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7193 9.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3902 9.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3902 10.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5718 10.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7193 11.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2299 9.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5718 11.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7193 12.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4244 12.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2428 11.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0952 12.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9136 11.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9136 10.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7661 12.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0484 8.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3902 11.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0484 6.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6724 9.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6724 7.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4874 8.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5718 12.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4244 13.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2299 6.7812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6584 5.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 4.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2276 5.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9543 7.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4811 6.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8126 6.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8056 5.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 5.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 5.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0946 6.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 7.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 13 1 0 0 0 0 12 13 1 0 0 0 0 13 18 1 1 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 8 14 1 0 0 0 0 14 33 1 6 0 0 0 10 9 1 0 0 0 0 8 9 1 0 0 0 0 9 28 1 6 0 0 0 11 9 1 0 0 0 0 7 8 2 0 0 0 0 5 10 1 0 0 0 0 10 19 1 1 0 0 0 1 10 1 0 0 0 0 16 17 1 0 0 0 0 20 17 1 0 0 0 0 17 29 1 6 0 0 0 11 12 1 0 0 0 0 16 15 1 0 0 0 0 6 7 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 5 36 1 1 0 0 0 30 6 2 0 0 0 0 22 20 1 0 0 0 0 20 21 1 6 0 0 0 34 20 1 0 0 0 0 2 1 1 0 0 0 0 22 23 1 0 0 0 0 24 23 1 0 0 0 0 22 35 1 6 0 0 0 3 4 1 0 0 0 0 25 24 1 0 0 0 0 27 25 1 0 0 0 0 26 25 1 0 0 0 0 3 2 1 0 0 0 0 2 31 1 1 0 0 0 3 32 1 1 0 0 0 15 33 1 6 0 0 41 47 1 0 0 0 46 40 1 0 0 0 40 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 1 0 0 42 32 1 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 45 39 1 6 0 0 M END > LMST01010432 > Brainesteroside A > 3-O-(beta-D-glucopyranosyl)-2beta,3beta,20,22R-tetrahydroxy-14alpha,15alpha-epoxy-5beta-cholest-7-en-6-one > C33H52O11 > 624.35 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > 14-deoxy-14alpha,15alpha-epoxyponasteroside A > DXNDVPXPNDDWTO-IEAOMMROSA-N > InChI=1S/C33H52O11/c1-15(2)6-7-24(37)32(5,41)23-12-25-33(44-25)17-10-19(35)18-11-21(42-29-28(40)27(39)26(38)22(14-34)43-29)20(36)13-30(18,3)16(17)8-9-31(23,33)4/h10,15-16,18,20-29,34,36-41H,6-9,11-14H2,1-5H3/t16-,18-,20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,30+,31+,32+,33-/m0/s1 > C1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C[C@@]2([H])C(=O)C=C3[C@@](CC[C@]4([C@@]53O[C@H]5C[C@]4([H])[C@](O)(C)[C@H](O)CCC(C)C)C)([H])[C@]21C > - > - > - > ST 27:3;O6;Hex > - > - > 101514322 > - > - > - > - > - > 120713 > - $$$$