LMPK12110988 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 0 0 0 0 0999 V2000 11.6033 -5.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6033 -6.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -6.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3130 -6.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3130 -5.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -4.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1680 -6.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0229 -6.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0229 -5.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1680 -4.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1680 -7.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -7.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0677 -4.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9687 -5.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8695 -4.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8695 -3.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9687 -2.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0677 -3.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7697 -2.9668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9521 -4.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3701 -4.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5769 -8.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8145 -9.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0575 -8.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8143 -6.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2819 -6.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6984 -6.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6984 -7.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8143 -8.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 -7.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 -6.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0575 -6.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4839 -8.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8230 -10.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2570 -12.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9623 -9.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6961 -12.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7473 -9.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7009 -9.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8695 -10.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0865 -11.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1330 -10.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3499 -11.4270 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 20 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 37 43 1 0 0 0 42 36 1 0 0 0 36 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 0 0 0 42 43 1 1 0 0 38 22 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 27 2 1 1 0 0 M END > LMPK12110988 > Spinosin > 6-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one > C28H32O15 > 608.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > 2''-O-beta-glucosylswertisin > VGGSULWDCMWZPO-ODEMIOGVSA-N > InChI=1S/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)22(35)19(14)26-27(24(37)21(34)16(8-29)41-26)43-28-25(38)23(36)20(33)17(9-30)42-28/h2-7,16-17,20-21,23-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1 > C1(OC)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 155692 > - > - > - > - > - > 33090; 714518 > - $$$$