LMST01010635 LIPID_MAPS_STRUCTURE_DATABASE 39 42 0 0 0 0 0 0 0 0999 V2000 11.5848 -7.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5973 -6.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7370 -7.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2802 -7.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5722 -8.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4533 -6.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7537 -5.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5889 -5.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8851 -7.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7370 -8.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2925 -6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4491 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8935 -6.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0332 -7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8768 -8.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8768 -9.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1446 -6.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2885 -4.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5889 -4.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4408 -4.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -5.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0290 -8.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1813 -7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1446 -5.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2843 -3.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1813 -9.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3295 -7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9922 -4.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3295 -8.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6845 -10.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6657 -10.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8400 -5.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4818 -9.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6917 -4.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6917 -5.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8316 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7286 -6.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3176 -5.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0290 -6.9313 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 28 32 1 0 0 0 0 29 33 2 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 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 37 1 1 0 0 0 6 38 1 6 0 0 0 14 39 1 6 0 0 0 M END > LMST01010635 > 2-Deoxycucurbitacin D > > C30H44O6 > 500.31 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > KMFVVUWIGLRRLZ-NTLQYXAJSA-N > InChI=1S/C30H44O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,13-14,18-20,24,31,35-36H,10-12,15-16H2,1-8H3/b14-13+/t18-,19-,20+,24+,27+,28-,29+,30+/m1/s1 > [C@@]12(C)C[C@H]([C@]([H])([C@](O)(C)C(=O)/C=C/C(O)(C)C)[C@@]1(C)CC([C@@]1(C)[C@]3([H])CCC(=O)C(C)(C)C3=CC[C@@]21[H])=O)O > - > - > - > ST 30:5;O6 > - > - > 21597452 > - > - > - > - > - > 45190 > 14640532 $$$$