LMST01010115 LIPID_MAPS_STRUCTURE_DATABASE 43 46 0 0 0 0 0 0 0 0999 V2000 9.7758 7.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7826 8.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0722 7.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1760 7.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7655 6.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4862 8.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 8.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 9.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3755 7.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0722 6.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1863 8.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4827 9.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3824 8.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 7.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 6.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 5.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8865 8.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1829 9.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 9.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4793 10.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6788 8.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6617 6.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9650 7.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8865 9.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1794 10.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9650 5.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2614 7.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5865 9.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2614 6.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3665 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5532 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2901 9.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 5.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2867 8.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9903 9.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9903 10.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2832 7.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9834 7.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5728 7.5607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0653 7.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1932 9.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6617 7.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 6 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 1 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 1 0 0 0 10 16 1 0 0 0 0 11 17 1 6 0 0 0 12 18 1 0 0 0 0 12 19 1 6 0 0 0 12 20 1 1 0 0 0 13 21 2 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 18 24 1 0 0 0 0 18 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 27 32 1 6 0 0 0 28 33 1 0 0 0 0 29 34 1 6 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 6 11 1 0 0 0 0 9 13 1 0 0 0 0 16 22 2 0 0 0 0 27 29 1 0 0 0 0 3 41 1 1 0 0 0 6 42 1 6 0 0 0 14 43 1 6 0 0 0 M END > LMST01010115 > Cucurbitacin Q > > C32H48O8 > 560.33 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > LMJMTWXDWFWZHV-CWJYERATSA-N > InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25-26,34-35,38-39H,11,14-16H2,1-9H3/b13-12+/t19-,20-,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1 > [C@@]12(C)C[C@H]([C@]([H])([C@](O)(C)C(=O)/C=C/C(C)(C)OC(=O)C)[C@@]1(C)CC([C@@]1(C)[C@]3([H])C[C@H]([C@@H](O)C(C)(C)C3=CC[C@@]21[H])O)=O)O > C08805 > - > 3952 > ST 32:5;O8 > - > - > 5281323 > - > - > - > - > - > - > - $$$$