LMST01120060 LIPID_MAPS_STRUCTURE_DATABASE 53 60 0 0 0 999 V2000 8.4796 8.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6120 8.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4796 6.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 6.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 7.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 9.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9039 8.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6120 7.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3475 7.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3475 6.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3475 8.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3475 9.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 8.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 7.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9509 8.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5268 7.9748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 10.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 11.3817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9509 9.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9509 10.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1241 11.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5958 11.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1634 11.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1504 12.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2059 12.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8706 13.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9039 10.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8718 10.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 8.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4929 9.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7440 6.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8593 7.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4735 5.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 6.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7888 7.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3976 8.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7617 7.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1171 6.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1271 6.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 7.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4155 8.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0593 9.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7759 6.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2258 6.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 7.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2936 8.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1824 9.5345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7903 7.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2838 7.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 7.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 7.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 8.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 9.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 8 3 1 0 0 0 0 3 9 1 0 0 0 0 13 11 1 0 0 0 0 11 9 1 0 0 0 0 9 4 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 0 0 0 0 29 15 1 0 0 0 0 13 29 1 0 0 0 0 6 13 1 0 0 0 0 17 6 1 0 0 0 0 17 19 1 0 0 0 0 27 19 1 0 0 0 0 19 15 1 0 0 0 0 15 7 1 0 0 0 0 27 30 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 1 0 0 0 9 10 1 6 0 0 0 11 12 1 1 0 0 0 13 14 1 6 0 0 0 15 16 1 1 0 0 0 17 18 1 1 0 0 0 19 20 1 1 0 0 0 27 23 1 0 0 0 0 21 24 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 22 1 0 0 0 0 22 23 2 0 0 0 0 25 26 2 0 0 0 0 27 28 1 6 0 0 0 29 32 1 1 0 0 0 5 32 1 1 0 0 41 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 0 0 0 40 41 1 0 0 0 41 42 1 1 0 0 37 31 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 6 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 1 0 0 48 35 1 1 0 0 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 0 0 M END > LMST01120060 > Glucopyranosyl aspecioside > 3-O-(beta-D-glucopyranosyl-(1-4)-6-deoxy-beta-D-allopyranosyl)-7-beta,8beta-epoxy-3-beta,12beta,14beta-trihydroxy-5-alpha-card-20(22)-enolide > C35H52O15 > 712.33 > Sterol Lipids [ST] > Sterols [ST01] > Cardanolides and derivatives [ST0112] > - > > MECLZPKUEHSELU-SKEOSEEBSA-N > InChI=1S/C35H52O15/c1-14-29(49-31-27(42)25(40)24(39)19(12-36)48-31)26(41)28(43)30(46-14)47-17-4-6-32(2)16(9-17)10-22-35(50-22)20(32)11-21(37)33(3)18(5-7-34(33,35)44)15-8-23(38)45-13-15/h8,14,16-22,24-31,36-37,39-44H,4-7,9-13H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22+,24-,25+,26+,27-,28-,29-,30+,31+,32+,33+,34-,35-/m1/s1 > C1[C@@]2(C)[C@@]([H])(C[C@@H]3O[C@@]43[C@]2([H])C[C@@H](O)[C@@]2(C)[C@]4(O)CC[C@]2([H])C2=CC(=O)OC2)C[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](C)O2)C1 > - > - > - > - > - > - > - > - > - > - > - > - > 48545 > - $$$$