LMST01020128 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 8.1878 8.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2483 8.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2483 7.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1878 6.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1271 7.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 6.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 7.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 8.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 8.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1271 8.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 10.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 10.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9452 10.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9452 8.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8241 8.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8241 10.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8848 10.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9452 10.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1271 9.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8848 11.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4930 10.9672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5764 6.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 9.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 8.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9452 8.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1271 6.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6945 11.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6945 12.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8848 13.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0755 12.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0755 11.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8848 14.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7548 7.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7548 8.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8867 7.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0183 7.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1498 7.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 7.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 7.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 7.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 7.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 7.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0612 7.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9296 7.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7981 7.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6665 7.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5309 7.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 20 1 0 0 0 1 10 1 0 0 0 5 10 1 0 0 0 9 10 1 0 0 0 8 14 1 0 0 0 13 17 1 0 0 0 13 18 1 1 0 0 10 19 1 1 0 0 17 21 1 6 0 0 3 22 1 1 0 0 8 23 1 1 0 0 9 24 1 6 0 0 14 25 1 1 0 0 5 26 1 1 0 0 20 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 20 2 0 0 0 29 32 2 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 22 33 1 0 0 0 0 46 47 1 0 0 0 M END > LMST01020128 > 3-(13-Hydroxy-tridecanoyl)-telocinobufagin > 3beta,5beta,14beta-trihydroxy-bufa-20,22-dienolide-3beta-yl-13-hydroxy-tridecanoate > C37H58O7 > 614.42 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > telocinobufagin-3-(13-hydroxy-tridecanoic acid) ester; Telocinobufagin-3-(13-hydroxy-tridecanoate) > IYWPYPXQKRFJCV-GRBQSWNNSA-N > InChI=1S/C37H58O7/c1-34-20-16-28(44-33(40)13-11-9-7-5-3-4-6-8-10-12-24-38)25-36(34,41)22-18-31-30(34)17-21-35(2)29(19-23-37(31,35)42)27-14-15-32(39)43-26-27/h14-15,26,28-31,38,41-42H,3-13,16-25H2,1-2H3/t28-,29+,30-,31+,34+,35+,36-,37-/m0/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5=COC(=O)C=C5)CC[C@]4(O)[C@]3([H])CC[C@]2(O)C[C@@H](OC(CCCCCCCCCCCCO)=O)C1 > - > - > - > - > - > - > - > - > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > 30331 > 39051843 $$$$