LMST01031169 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 999 V2000 8.2736 8.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 7.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2736 6.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2124 6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1510 6.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0899 6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0899 7.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1510 8.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2124 7.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1510 9.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0899 9.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0285 9.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0285 8.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9060 8.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9060 9.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9674 9.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0285 10.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2124 8.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9674 10.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0846 11.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7184 11.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4692 10.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2202 11.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9711 10.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7222 11.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9711 10.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5753 10.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9674 11.7492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6634 6.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2433 12.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0899 8.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1306 7.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0285 7.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5706 8.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5006 8.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3987 7.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9559 6.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1509 5.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2124 5.7056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8457 9.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 9 10 1 0 0 0 0 8 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 10 19 1 1 0 0 0 20 21 1 6 0 0 0 17 28 1 6 0 0 0 20 29 1 1 0 0 0 3 30 1 1 0 0 0 24 31 1 6 0 0 0 8 32 1 1 0 0 0 9 33 1 6 0 0 0 14 34 1 6 0 0 0 35 36 2 0 0 0 35 37 1 0 0 0 7 38 1 1 0 0 6 39 1 1 0 0 5 40 1 6 0 0 16 41 1 1 0 0 41 35 1 0 0 0 M END > LMST01031169 > Penicisteroid H > 16beta-acetoxy-5alpha-ergosta-22E-en-3beta,,6beta,7beta,triol > C30H50O5 > 490.37 > Sterol Lipids [ST] > Sterols [ST01] > Ergosterols and C24-methyl derivatives [ST0103] > - > 16beta-acetoxy-3beta,,6beta,7beta-trihydroxy-5alpha-ergost-22E-ene > XGCBEJNSJGKYKN-WIJDSFKRSA-N > InChI=1S/C30H50O5/c1-16(2)17(3)8-9-18(4)26-24(35-19(5)31)15-22-25-21(11-13-30(22,26)7)29(6)12-10-20(32)14-23(29)27(33)28(25)34/h8-9,16-18,20-28,32-34H,10-15H2,1-7H3/b9-8+/t17-,18+,20-,21-,22-,23+,24-,25+,26-,27-,28+,29+,30-/m0/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)[C@@H](OC(C)=O)C[C@@]4([H])[C@]3([H])[C@@H](O)[C@@H](O)[C@@]2([H])C[C@@H](O)C1 > - > - > - > ST 30:2;O5 > - > - > 146682904 > - > - > - > - > - > 395885 > 30893778 $$$$