LMSL05000020 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 9.9265 -2.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9265 -4.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1949 -5.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4686 -4.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1947 -2.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7065 -3.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0634 -2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0634 -3.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1947 -4.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3317 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3317 -2.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4686 -2.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9492 -2.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8025 -4.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8107 -4.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5306 -1.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9554 -2.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3821 -3.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3838 -3.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9636 -2.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5369 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 -0.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6142 -0.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1129 0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6106 1.7156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6128 1.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6163 -0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 -2.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 -1.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 -3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2047 -2.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 -3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4543 -2.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4209 -3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 -2.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1713 -3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0465 -2.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9217 -3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7969 -2.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6721 -3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5474 -2.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6721 -4.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 12 1 0 0 0 11 5 1 0 0 0 5 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 1 0 0 7 1 1 6 0 0 8 2 1 6 0 0 9 3 1 1 0 0 10 4 1 6 0 0 21 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 1 0 0 17 13 1 4 0 0 18 14 1 6 0 0 19 15 1 1 0 0 20 1 1 6 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 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 6 29 1 0 0 0 0 42 44 1 0 0 0 M END > LMSL05000020 > Sporangimicin A > 6-O-isopropoyl-6'-O-(13-methyl-2Z,4E-tetradecadienoyl)-maltose > C31H52O13 > 632.34 > Saccharolipids [SL] > Other acyl sugars [SL05] > > - > > RFJGPGASEICLNW-KHRBBLPLSA-N > InChI=1S/C31H52O13/c1-18(2)14-12-10-8-6-5-7-9-11-13-15-22(32)40-16-20-23(33)24(34)27(37)31(43-20)44-28-21(17-41-29(38)19(3)4)42-30(39)26(36)25(28)35/h9,11,13,15,18-21,23-28,30-31,33-37,39H,5-8,10,12,14,16-17H2,1-4H3/b11-9+,15-13-/t20-,21-,23-,24+,25-,26-,27-,28-,30?,31-/m1/s1 > O([C@@H]1[C@@H](COC(C(C)C)=O)OC(O)[C@H](O)[C@H]1O)[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C\C=C\CCCCCCCC(C)C)=O)O1 > - > - > - > - > - > - > - > - > - > - > - > - > 2682940 > 39210002 $$$$