LMPK12111835 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 7.8172 10.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8172 9.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 9.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6327 9.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6327 10.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 11.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5406 9.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4483 9.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4483 10.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5406 11.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5406 8.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5915 11.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5168 10.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4420 11.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4420 12.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5168 13.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5915 12.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1492 13.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 8.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8962 6.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 5.6082 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1049 5.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0355 6.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9058 9.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3109 7.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7791 5.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8459 5.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6712 7.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3519 5.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6418 8.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3443 7.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0765 6.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1099 6.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4074 7.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4408 6.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3377 3.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5971 2.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8760 3.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6183 5.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1228 5.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4843 5.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4772 4.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6041 3.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7437 4.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7508 5.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8902 5.8114 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 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 4 3 1 0 0 0 0 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 25 8 1 0 0 0 0 30 36 1 0 0 0 35 29 1 0 0 0 29 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 1 0 0 31 25 1 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 41 47 1 0 0 0 46 40 1 0 0 0 40 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 1 0 0 42 30 1 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 45 39 1 6 0 0 22 41 1 0 0 0 0 M END > LMPK12111835 > Kaempferol 3-(6''-sulfatogentiobioside) > > C27H30O19S > 690.11 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > VTJKDBCZBBPNIM-DEFKTLOSSA-N > InChI=1S/C27H30O19S/c28-10-3-1-9(2-4-10)24-25(19(33)16-12(30)5-11(29)6-13(16)43-24)46-27-23(37)21(35)17(31)14(45-27)7-41-26-22(36)20(34)18(32)15(44-26)8-42-47(38,39)40/h1-6,14-15,17-18,20-23,26-32,34-37H,7-8H2,(H,38,39,40)/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 > C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)O)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44258907 > - > - > - > - > - > 33090 > - $$$$