LMPK12110501 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 11.1652 8.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1652 7.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0534 7.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9417 7.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9417 8.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0534 9.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8300 7.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7183 7.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7183 8.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8300 9.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8300 6.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0551 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8040 9.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7400 8.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6760 9.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6760 10.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7400 11.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8040 10.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5574 11.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2514 9.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7417 11.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1873 5.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4538 4.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7256 5.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4536 7.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9627 7.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3232 7.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3232 6.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4536 5.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5897 6.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5897 7.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7256 7.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3106 10.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3106 12.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0413 13.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9107 10.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0425 10.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1760 10.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1773 11.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0426 12.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9092 11.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7746 12.2182 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 3 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 0 0 0 17 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 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 0 0 0 31 32 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 27 2 1 1 0 0 41 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 0 0 0 41 42 1 6 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 37 6 1 1 0 0 M END > LMPK12110501 > Elatin(flavonoid) > > C27H30O15 > 594.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > NPMISSRZJYIZNR-KEDMASJLSA-N > InChI=1S/C27H30O15/c1-7-17(32)21(36)23(38)27(40-7)16-20(35)15(26-24(39)22(37)18(33)13(6-28)42-26)19(34)14-11(31)5-12(41-25(14)16)8-2-3-9(29)10(30)4-8/h2-5,7,13,17-18,21-24,26-30,32-39H,6H2,1H3/t7-,13+,17-,18+,21+,22-,23+,24+,26-,27-/m0/s1 > C1(O)=C([C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 178336012 > - > - > - > - > - > 33090 > - $$$$