LMFA08020467 LIPID_MAPS_STRUCTURE_DATABASE 54 55 0 0 0 0 0 0 0 0999 V2000 22.8451 -6.6520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7095 -6.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5740 -6.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4384 -6.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3007 -4.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4380 -5.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1665 -5.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3076 -6.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1691 -6.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0301 -4.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9767 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9767 -5.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1019 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2266 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3515 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4763 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6012 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7260 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8508 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9757 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1004 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2253 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3501 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5998 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7246 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8495 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9742 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0991 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2239 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3487 -6.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4736 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2253 -7.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9742 -7.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7428 -8.6139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4732 -9.6129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 -8.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4734 -6.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 -7.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 -7.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 -8.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4734 -8.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3357 -8.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3357 -7.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 -6.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 -5.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1020 -7.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2374 -8.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6115 -6.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -6.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -6.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0185 -6.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1564 -6.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7091 -6.6340 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 6 4 2 0 0 0 4 8 1 0 0 0 8 9 2 0 0 0 9 7 1 0 0 0 7 5 2 0 0 0 5 6 1 0 0 0 7 10 1 0 0 0 11 12 2 0 0 0 11 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 2 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 22 33 2 0 0 0 28 34 2 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 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 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 45 46 2 0 0 0 13 47 1 1 0 0 47 48 1 0 0 0 1 11 1 0 0 0 32 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 40 54 1 1 0 0 M END > LMFA08020467 > Phakellioside B > N-(2S-methoxy-20,26-diketo-26-glucuronyl-5Z-hexadocosenoyl) tyramine > C41H65NO12 > 763.45 > Fatty Acyls [FA] > Fatty amides [FA08] > N-acyl amines [FA0802] > - > > LNSLHAVGDXXEIM-NMXWYRSYSA-N > InChI=1S/C41H65NO12/c1-52-34(39(49)42-28-27-30-23-25-33(45)26-24-30)22-16-9-5-4-8-13-19-32(44)21-15-11-14-20-31(43)18-12-7-3-2-6-10-17-29-53-41-37(48)35(46)36(47)38(54-41)40(50)51/h5,9,23-26,34-38,41,45-48H,2-4,6-8,10-22,27-29H2,1H3,(H,42,49)(H,50,51)/b9-5-/t34-,35-,36-,37+,38-,41+/m0/s1 > N(C([C@@H](OC)CC/C=C\CCCCC(=O)CCCCCC(=O)CCCCCCCCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)=O)CCC1C=CC(O)=CC=1 > - > - > - > - > - > - > - > - > - > - > - > - > 2635463 > 42646464 $$$$