LMST01010516 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 10.2484 9.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1052 8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3872 8.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2569 10.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 9.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9622 9.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1052 7.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 7.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5261 9.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1221 10.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 10.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9749 10.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6759 9.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9537 8.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2399 7.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5261 7.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 8.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8402 10.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9706 11.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6886 10.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 7.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0196 6.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0157 6.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8360 11.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5497 10.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7997 7.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6886 12.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9706 12.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8318 12.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5497 11.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6843 13.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4066 12.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2635 11.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0968 9.7757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0049 8.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4025 11.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1359 12.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2680 10.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1296 11.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9956 10.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8616 11.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9956 9.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4420 8.4289 0.0000 O 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 1 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 6 0 0 0 7 15 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 1 0 0 0 13 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 18 24 1 0 0 0 0 20 25 1 6 0 0 0 21 26 1 1 0 0 0 24 27 1 0 0 0 0 24 28 1 6 0 0 0 24 29 1 1 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 8 15 1 0 0 0 0 10 12 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 2 34 1 1 0 0 0 3 35 1 6 0 0 0 18 36 1 6 0 0 0 33 37 1 0 0 0 33 38 1 0 0 0 33 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 40 42 2 0 0 0 8 43 1 1 0 0 5 43 1 0 0 0 0 M END > LMST01010516 > Cucurbitacin C6 > 25-acetyloxy-3beta,16alpha,20beta-trihydroxy-5beta,19beta-epoxy-cucurbit-6-en-11,22-dione > C32H48O8 > 560.33 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > MFMXRVNIDXBHHV-DSZIFTQBSA-N > InChI=1S/C32H48O8/c1-18(33)40-26(2,3)13-12-23(36)30(8,38)25-19(34)15-28(6)20-11-14-32-21(9-10-22(35)27(32,4)5)31(20,17-39-32)24(37)16-29(25,28)7/h11,14,19-22,25,34-35,38H,9-10,12-13,15-17H2,1-8H3/t19-,20+,21+,22+,25+,28+,29-,30+,31-,32-/m1/s1 > [C@@]123CO[C@@]4(C=C[C@@]1([H])[C@]1(C)C[C@H]([C@]([H])([C@](O)(C)C(=O)CCC(OC(=O)C)(C)C)[C@]1(CC2=O)C)O)C(C)(C)[C@H](CC[C@@]34[H])O > - > - > - > ST 32:5;O8 > - > - > 171119977 > - > - > - > - > - > 3659 > 35182783 $$$$