LMST01040190 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 0 0 0 0 0999 V2000 8.8089 6.5043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8043 8.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0743 7.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0818 6.9221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5422 7.7733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5392 6.9297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9993 6.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0023 7.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2738 8.1952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8067 7.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2647 9.0152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9911 9.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2748 9.8425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7027 9.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5383 6.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 6.5043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3560 5.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0818 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8089 5.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6351 6.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9141 6.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9141 5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6351 5.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 7.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 5.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9931 8.5135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6220 9.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0818 6.0897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8430 9.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1286 9.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1286 8.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4170 9.4225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9451 10.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8449 10.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2982 9.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2621 8.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7710 8.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1952 10.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3863 10.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9527 10.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2012 11.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 6 7 1 0 0 0 0 1 10 1 1 0 0 0 5 36 1 1 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 1 0 0 0 12 14 1 0 0 0 0 14 32 1 0 0 0 0 32 30 1 0 0 0 0 30 29 2 0 0 0 0 6 15 1 6 0 0 0 4 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 1 1 0 0 0 0 16 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 17 2 0 0 0 0 16 24 1 1 0 0 0 22 25 2 0 0 0 0 9 26 1 6 0 0 0 11 27 1 6 0 0 0 4 28 1 6 0 0 0 32 38 1 1 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 36 35 2 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 39 41 2 0 0 0 0 39 40 1 0 0 0 0 M END > LMST01040190 > Norselic acid E > 3-oxo-24R-acetoxy-poriferast-1,4,6,26-tetraen-18-oic acid > C31H42O5 > 494.30 > Sterol Lipids [ST] > Sterols [ST01] > Stigmasterols and C24-ethyl derivatives [ST0104] > - > > JFWKHVJJUMJZAN-RKDCWTDHSA-N > InChI=1S/C31H42O5/c1-7-30(19(2)3,36-21(5)32)16-12-20(4)25-10-11-27-24-9-8-22-18-23(33)13-15-29(22,6)26(24)14-17-31(25,27)28(34)35/h8-9,13,15,18,20,24-27H,2,7,10-12,14,16-17H2,1,3-6H3,(H,34,35)/t20-,24-,25-,26+,27+,29+,30-,31+/m1/s1 > [C@]12(C=CC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C(O)=O)[C@@]([H])([C@@](C)([H])CC[C@@](CC)(OC(C)=O)C(C)=C)CC[C@@]21[H])[H] > - > - > 185420 > ST 31:7;O5 > - > - > 44557652 > - > - > - > - > - > 2638157 > 21152619 $$$$