LMST04010479 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 0 0 0 0 0999 V2000 8.5303 -6.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5882 -6.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5882 -8.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5303 -8.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4723 -8.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4144 -8.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3566 -8.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3566 -6.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4144 -6.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4723 -6.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4144 -5.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3566 -4.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2985 -5.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1826 -6.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1826 -5.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2406 -4.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2985 -4.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4723 -6.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2406 -3.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3549 -3.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9942 -3.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7479 -3.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5015 -3.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9143 -8.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4723 -8.7657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5015 -2.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2550 -3.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3566 -6.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3939 -7.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2985 -7.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8506 -4.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2406 -2.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2985 -6.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5300 -10.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5629 -10.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1081 -10.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2765 -9.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8897 -7.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2147 -8.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6002 -8.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5880 -8.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2312 -8.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8867 -9.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9032 -9.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2601 -9.1705 0.0000 C 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 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 13 16 1 0 0 0 0 13 17 1 1 0 0 0 10 18 1 1 0 0 0 19 20 1 6 0 0 0 3 24 1 6 0 0 0 5 25 1 1 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 8 28 1 1 0 0 0 9 29 1 6 0 0 0 16 31 1 6 0 0 0 19 32 1 1 0 0 0 13 33 1 0 0 0 0 33 14 1 0 0 0 0 33 30 1 6 0 0 0 8 33 1 0 0 0 0 36 37 1 0 0 0 14 38 1 6 0 0 45 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 37 1 1 0 0 42 39 1 6 0 0 43 34 1 1 0 0 44 35 1 6 0 0 41 38 1 1 0 0 M END > LMST04010479 > 15alpha-glucosyl-lithocholic Acid > 3alpha-hydroxy-15alpha-O-beta-D-glucopyranosyloxy-5beta-cholan-24-oic acid > C30H50O9 > 554.35 > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C24 bile acids, alcohols, and derivatives [ST0401] > - > > PEDYVMBLERMNGN-ZCCBGPKCSA-N > InChI=1S/C30H50O9/c1-15(4-7-23(33)34)20-13-21(38-28-27(37)26(36)25(35)22(14-31)39-28)24-18-6-5-16-12-17(32)8-10-29(16,2)19(18)9-11-30(20,24)3/h15-22,24-28,31-32,35-37H,4-14H2,1-3H3,(H,33,34)/t15-,16-,17-,18-,19+,20-,21+,22-,24-,25-,26+,27-,28-,29+,30-/m1/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4([C@@]([C@]3([H])CC[C@]2([H])C[C@H](O)C1)([H])[C@@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C[C@]4([H])[C@]([H])(C)CCC(O)=O)C > - > - > - > ST 24:1;O4;Hex > - > - > - > - > - > - > - > - > 656917 > 42476486 $$$$