LMFA08020464 LIPID_MAPS_STRUCTURE_DATABASE 55 56 0 0 0 0 0 0 0 0999 V2000 21.6160 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4866 -2.5395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6160 -1.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7388 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8614 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9840 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1066 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2292 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3517 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4743 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5968 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7194 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8420 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9646 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0872 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2097 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3323 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4548 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8226 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9451 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0677 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1903 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3128 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4354 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3194 -2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8420 -3.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 -3.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1844 -2.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3532 -2.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2199 -2.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0866 -2.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9510 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0862 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8189 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9579 -2.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8215 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9508 0.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6848 -0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 -4.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 -5.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5888 -4.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8593 -2.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3523 -2.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -2.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -3.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8593 -4.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 -3.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 -2.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5888 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6781 -1.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7389 -3.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8722 -4.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 2 0 0 0 1 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 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 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 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 2 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 13 29 2 0 0 0 19 30 2 0 0 0 28 31 1 0 0 0 2 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 36 34 2 0 0 0 34 38 1 0 0 0 38 39 2 0 0 0 39 37 1 0 0 0 37 35 2 0 0 0 35 36 1 0 0 0 35 40 1 0 0 0 37 41 1 0 0 0 46 52 1 0 0 0 51 45 1 0 0 0 45 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 1 0 0 48 42 1 6 0 0 49 43 1 1 0 0 50 44 1 6 0 0 52 53 2 0 0 0 47 31 1 1 0 0 4 54 1 1 0 0 54 55 1 0 0 0 M END > LMFA08020464 > Phakellioside A > N-(2S-methoxy-11,17-diketo-26-glucuronyl-5Z,22Z-hexadocosa-dienoyl) dopamine > C41H63NO13 > 777.43 > Fatty Acyls [FA] > Fatty amides [FA08] > N-acyl amines [FA0802] > - > > ZOONKBKNNNLLEH-SJUKAPOTSA-N > InChI=1S/C41H63NO13/c1-53-34(39(50)42-26-25-29-23-24-32(45)33(46)28-29)22-16-9-5-4-8-13-19-31(44)21-15-11-14-20-30(43)18-12-7-3-2-6-10-17-27-54-41-37(49)35(47)36(48)38(55-41)40(51)52/h2,5-6,9,23-24,28,34-38,41,45-49H,3-4,7-8,10-22,25-27H2,1H3,(H,42,50)(H,51,52)/b6-2-,9-5-/t34-,35-,36-,37+,38-,41+/m0/s1 > C([C@@H](OC)CC/C=C\CCCCC(=O)CCCCCC(=O)CCCC/C=C\CCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)(=O)NCCC1C=CC(O)=C(O)C=1 > - > - > - > - > - > - > - > - > - > - > - > - > 2635463 > 42646464 $$$$