LMPR0104010048 LIPID_MAPS_STRUCTURE_DATABASE 51 50 0 0 0 0 0 0 0 0999 V2000 20.1898 -7.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1240 -8.3540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2266 -6.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3468 -8.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5031 -7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6595 -8.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8161 -7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9728 -8.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1292 -7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2857 -8.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4423 -7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5988 -8.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7552 -7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 -8.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0684 -7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 -8.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3816 -7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 -8.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5031 -6.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1284 -6.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7552 -6.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3448 -6.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0211 -7.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8326 -8.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7298 -8.0834 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.5413 -8.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8155 -7.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6440 -9.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7913 -6.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5159 -7.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8889 -6.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7467 -5.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7467 -4.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3510 -5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3608 -5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5032 -6.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6456 -5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6554 -5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 -6.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9404 -5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9502 -5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0927 -6.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 -5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2449 -5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3874 -6.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 -5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5396 -5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3179 -6.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1754 -5.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0231 -5.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1573 -6.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 1 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 5 19 1 0 0 0 9 20 1 1 0 0 13 21 1 1 0 0 17 22 1 0 0 0 2 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 25 27 2 0 0 0 25 28 2 0 0 0 7 29 1 0 0 0 17 30 1 0 0 0 32 31 1 0 0 0 0 32 33 2 0 0 0 0 34 35 2 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 37 38 2 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 40 41 2 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 43 44 2 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 46 47 2 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 32 29 1 0 0 0 31 50 1 0 0 0 50 51 1 0 0 0 34 51 1 0 0 0 0 M END > LMPR0104010048 > Copepodamide B > 5-(eicosa-5Z,8Z,11Z,14Z,17Z-pentaenoyl)oxy-15-hydroxy-3,7R,11S,15-tetramethyl-hexadecanoylaminoethanesulfonic acid > C42H73NO7S > 735.51 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Acyclic diterpenoids [PR010401] > > QMKVGFGLEKKMFX-PTGZXRGTSA-N > InChI=1S/C42H73NO7S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-41(45)50-39(34-38(4)35-40(44)43-31-32-51(47,48)49)33-37(3)27-24-26-36(2)28-25-30-42(5,6)46/h8-9,11-12,14-15,17-18,20-21,36-39,46H,7,10,13,16,19,22-35H2,1-6H3,(H,43,44)(H,47,48,49)/b9-8-,12-11-,15-14-,18-17-,21-20-/t36-,37+,38?,39?/m0/s1 > C(CC(C)CC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@H](C)CCC[C@H](C)CCCC(O)(C)C)(=O)NCCS(=O)(=O)O > - > - > - > - > - > - > 122374808 > - > - > - > - > - > 463189 > 25918403 $$$$