LMST01040301 LIPID_MAPS_STRUCTURE_DATABASE 40 44 0 0 0 999 V2000 10.5899 -7.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7096 -7.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5729 -8.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8378 -7.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7011 -6.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7181 -9.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5856 -5.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8378 -8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 -7.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -6.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7011 -10.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 -9.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1071 -7.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1071 -8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 -7.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2180 -9.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7011 -8.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -9.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4571 -7.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0538 -6.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5027 -6.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5027 -5.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4984 -7.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4984 -8.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0243 -5.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4640 -6.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2121 -5.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0861 -4.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4640 -5.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5899 -4.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3380 -4.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3893 -3.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4640 -3.9984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8363 -5.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4258 -6.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4220 -6.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1896 -3.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8036 -5.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9203 -7.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0930 -3.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 17 1 6 0 0 0 3 6 1 0 0 0 0 21 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 1 0 0 0 5 7 1 0 0 0 0 6 11 2 0 0 0 0 6 8 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 1 0 0 0 9 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 1 0 0 0 13 14 1 0 0 0 0 14 16 1 1 0 0 0 26 21 1 0 0 0 0 21 23 1 0 0 0 0 23 19 1 0 0 0 0 26 20 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 1 0 0 0 23 24 1 6 0 0 0 26 25 1 6 0 0 0 26 29 1 0 0 0 0 29 31 1 0 0 0 0 31 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 6 0 0 0 31 32 1 6 0 0 0 29 33 1 1 0 0 28 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 28 37 1 1 0 0 34 38 1 6 0 0 35 39 2 0 0 0 27 36 1 6 0 0 37 40 1 0 0 0 M END > LMST01040301 > Spectasterone B > 6-oxo-2beta,3beta,14alpha,20R,22R-pentahydroxy-stigmast-7-en-26,23S-lactone > C29H44O9 > 536.30 > Sterol Lipids [ST] > Sterols [ST01] > Stigmasterols and C24-ethyl derivatives [ST0104] > - > > NNAWZGZEABAUHJ-WOBRLKPYSA-N > InChI=1S/C29H44O9/c1-6-15-14(2)24(34)38-22(15)23(33)27(5,35)20-8-10-28(36)17-11-21(32)29(37)13-19(31)18(30)12-26(29,4)16(17)7-9-25(20,28)3/h11,14-16,18-20,22-23,30-31,33,35-37H,6-10,12-13H2,1-5H3/t14-,15-,16-,18-,19+,20-,22-,23+,25+,26+,27+,28+,29+/m0/s1 > C12=CC([C@]3(O)C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(C)[C@H](O)[C@H]1OC(=O)[C@@H](C)[C@@H]1CC)[H])=O > - > - > - > ST 27:2;O9 > - > - > - > - > - > - > - > - > 1586319 > 37521666 $$$$