LMST05050018 LIPID_MAPS_STRUCTURE_DATABASE 51 55 0 0 0 999 V2000 11.9996 9.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1237 8.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6274 8.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6274 9.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7514 9.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7514 10.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6274 11.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5031 10.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5031 9.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3793 11.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5031 11.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0997 11.6950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6274 10.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7575 9.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4780 9.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2552 10.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1237 9.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9996 7.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8754 8.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2552 9.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8754 9.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8754 10.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3439 7.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0798 12.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9559 12.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5031 12.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3793 12.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3702 13.0273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8317 12.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7480 12.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7480 11.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5318 12.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0666 11.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3790 11.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7514 7.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7514 6.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9678 9.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5975 7.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3493 8.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9791 7.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4734 8.4087 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9727 6.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 6.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1106 8.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0396 9.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4416 8.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6925 7.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5415 7.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1346 8.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8836 9.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 5.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 17 2 1 0 0 0 2 18 1 0 0 0 19 18 2 0 0 0 19 35 1 0 0 0 35 3 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 9 20 1 0 0 0 20 16 1 0 0 0 10 16 1 0 0 0 10 27 1 0 0 0 27 24 1 0 0 0 21 1 1 0 0 0 19 21 1 0 0 0 21 5 1 0 0 0 4 9 1 0 0 0 8 10 1 0 0 0 8 11 1 1 0 0 10 12 1 6 0 0 2 23 1 1 0 0 4 13 1 1 0 0 5 14 1 6 0 0 9 15 1 6 0 0 21 22 1 1 0 0 24 25 1 0 0 0 25 29 1 0 0 0 27 26 1 0 0 0 27 28 1 1 0 0 20 37 1 6 0 0 29 30 1 0 0 0 30 31 1 1 0 0 30 32 1 0 0 0 16 33 1 1 0 0 32 34 1 0 0 0 35 36 1 1 0 0 37 41 1 0 0 0 41 38 2 0 0 0 41 39 2 0 0 0 41 40 1 0 0 0 45 50 1 0 0 0 50 49 1 0 0 0 49 48 1 0 0 0 48 47 1 0 0 0 47 46 1 0 0 0 46 45 1 0 0 0 46 23 1 1 0 0 47 42 1 6 0 0 48 43 1 1 0 0 49 44 1 6 0 0 42 51 1 0 0 0 M END > LMST05050018 > Echinasteroside C 15-O-sulfate > (25S)-3beta-(2-O-methyl-beta-D-xylopyranosyloxy)-6beta,8,16beta,26-tetrahydroxycholest-5-en-15alpha-yl sulfate > C33H56O13S > 692.34 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Other Steroid conjugates [ST0505] > - > > QYHOJVXSEUBPHK-KGFVJONFSA-N > InChI=1S/C33H56O13S/c1-17(15-34)7-6-8-18(2)24-26(38)27(46-47(40,41)42)29-32(24,4)12-10-23-31(3)11-9-19(13-20(31)21(35)14-33(23,29)39)45-30-28(43-5)25(37)22(36)16-44-30/h13,17-19,21-30,34-39H,6-12,14-16H2,1-5H3,(H,40,41,42)/t17-,18+,19-,21+,22+,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33-/m0/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@H](CO)C)[C@@H](O)[C@H](OS(O)(=O)=O)[C@@]4([H])[C@]3(O)C[C@@H](O)C2=C[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2OC)C1 > - > - > - > - > - > - > 52931572 > - > Sterol Lipids [ST]; Sterol Lipids [ST] > Steroid conjugates [ST05]; Sterols [ST01] > Sulfates [ST0502]; Cholesterol and derivatives [ST0101] > -; - > 136939 > 19059276 $$$$