LMFA07040108 LIPID_MAPS_STRUCTURE_DATABASE 40 41 0 0 0 999 V2000 12.9193 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7853 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6514 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5174 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3834 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2494 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1155 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1155 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2494 -9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9815 -9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7853 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7853 -12.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6514 -12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5174 -12.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3834 -12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2494 -12.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1155 -12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1155 -11.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9815 -10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8475 -11.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2811 -4.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7065 -3.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6311 -3.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4631 -6.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7106 -4.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4955 -5.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2434 -4.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9588 -4.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9210 -4.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1731 -5.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1354 -5.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9193 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0533 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0533 -10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1873 -11.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1873 -12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3212 -12.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0533 -12.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9193 -12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9193 -11.0000 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 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 2 11 1 1 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 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 10 1 6 0 0 19 20 1 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 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 1 0 0 26 11 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 1 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 1 0 0 36 38 1 0 0 0 38 39 1 0 0 0 39 12 1 0 0 0 39 40 1 1 0 0 M END > LMFA07040108 > Macrolactin R > 7R-beta-D-glucopyranosyl-13R,15S-dihydroxy-2Z,4E,8E,10E,16E,18E,23S-tetracosahexenyl-23-olide > C30H44O10 > 564.29 > Fatty Acyls [FA] > Fatty esters [FA07] > Lactones [FA0704] > - > > NDMBRILKNZCXKI-NGDJXNTDSA-N > InChI=1S/C30H44O10/c1-21-13-7-3-2-4-8-14-22(32)19-23(33)15-9-5-10-16-24(17-11-6-12-18-26(34)38-21)39-30-29(37)28(36)27(35)25(20-31)40-30/h2,4-6,8-12,14,16,18,21-25,27-33,35-37H,3,7,13,15,17,19-20H2,1H3/b4-2+,9-5+,11-6+,14-8+,16-10+,18-12-/t21-,22+,23+,24-,25-,27-,28+,29-,30-/m1/s1 > C1=CC=CC[C@@H](C[C@@H](O)C=CC=CCCC[C@@H](C)OC(=O)C=CC=CC[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)O > - > - > - > - > - > - > 23655747 > - > - > - > - > - > 1386 > 17887720 $$$$