LMPK12111876 LIPID_MAPS_STRUCTURE_DATABASE 50 55 0 0 0 999 V2000 10.3938 11.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3938 10.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2404 9.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0870 10.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0870 11.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2404 11.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9336 9.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7803 10.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7803 11.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9336 11.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9336 8.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6267 11.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4896 11.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3526 11.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3526 12.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4896 13.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6267 12.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5473 11.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6657 9.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2404 8.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3174 13.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6887 9.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6934 9.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5617 11.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9813 12.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5521 11.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1228 10.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1226 10.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5569 11.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9862 12.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 13.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4736 8.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6338 6.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9885 5.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9219 8.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7470 8.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6509 8.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7299 7.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9072 6.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0034 7.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1807 6.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6331 10.4229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6259 10.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4548 8.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8867 7.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4678 8.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0475 9.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0463 9.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4606 8.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8808 7.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 30 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 6 0 0 26 18 1 1 0 0 27 22 1 6 0 0 28 23 1 6 0 0 29 24 1 1 0 0 40 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 6 0 0 36 19 1 1 0 0 37 32 1 6 0 0 38 33 1 6 0 0 39 34 1 1 0 0 50 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 46 32 1 1 0 0 47 42 1 6 0 0 48 43 1 1 0 0 49 44 1 6 0 0 M END > LMPK12111876 > Sagittatin A > > C32H38O18 > 710.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > MRMCTOUWTYMNOX-DETDWBCYSA-N > InChI=1S/C32H38O18/c1-10-19(36)23(40)26(43)31(45-10)47-14-7-15(34)18-17(8-14)48-27(12-3-5-13(33)6-4-12)28(22(18)39)49-32-29(24(41)20(37)11(2)46-32)50-30-25(42)21(38)16(35)9-44-30/h3-8,10-11,16,19-21,23-26,29-38,40-43H,9H2,1-2H3/t10-,11-,16+,19-,20-,21-,23+,24+,25+,26+,29+,30-,31-,32-/m0/s1 > C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 21607144 > - > - > - > - > - > 33090 > - $$$$