LMST01010599 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 999 V2000 8.5314 6.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6709 6.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6709 5.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 4.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3918 5.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2181 4.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0786 5.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0786 6.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2181 6.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3918 6.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2181 7.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0786 8.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9048 7.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9048 6.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5913 6.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5913 7.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7652 8.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9048 8.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3918 7.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7652 9.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9048 9.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6258 9.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4520 9.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3124 9.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1386 9.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1386 8.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9991 9.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2181 5.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5913 8.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2181 3.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8103 6.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8103 4.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9048 5.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7652 10.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6258 10.7724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0233 8.8305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3918 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0968 7.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9974 7.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2699 7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1258 11.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6258 12.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1258 11.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6258 12.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6259 12.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1259 11.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6259 10.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6258 10.7724 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 37 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 36 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 36 38 1 0 0 0 38 39 2 0 0 0 38 40 1 0 0 0 35 41 1 0 0 0 41 42 2 0 0 0 41 43 1 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 47 48 1 0 0 0 48 43 2 0 0 0 M END > LMST01010599 > Viticosterone E 22-benzoate > 22R-benzoyl-25-acetoxy-2beta,3beta,14alpha,20-tetrahydroxy-5beta-cholest-7-en-6-one > C36H50O9 > 626.35 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > IZIFJCWKPSZQQU-WRAFMZOWSA-N > InChI=1S/C36H50O9/c1-21(37)45-32(2,3)15-14-30(44-31(41)22-10-8-7-9-11-22)35(6,42)29-13-17-36(43)24-18-26(38)25-19-27(39)28(40)20-33(25,4)23(24)12-16-34(29,36)5/h7-11,18,23,25,27-30,39-40,42-43H,12-17,19-20H2,1-6H3/t23-,25-,27+,28-,29-,30+,33+,34+,35+,36+/m0/s1 > C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@@](CC[C@]4([C@@]3(O)CC[C@]4([H])[C@](O)(C)[C@H](OC(C3=CC=CC=C3)=O)CCC(OC(C)=O)(C)C)C)([H])[C@]21C > - > - > - > ST 36:8;O9 > - > - > 21768850 > - > - > - > - > - > 2082040 > - $$$$