LMPK12111222 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 0 0 0 0 0999 V2000 15.2952 11.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2952 10.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1845 9.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0736 10.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0736 11.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1845 11.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4059 9.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5168 10.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6275 9.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6275 8.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5168 8.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4059 8.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7382 10.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8489 9.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8489 8.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7382 8.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5168 7.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9598 10.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7382 7.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9518 11.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9006 9.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 8.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0377 7.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6194 8.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6052 6.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8749 5.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0269 8.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8949 8.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7542 8.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7458 7.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8807 6.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0213 7.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1047 8.6338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1179 8.4742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 10.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4003 11.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9687 10.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5412 9.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 9.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9820 10.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4094 11.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 11.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 32 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 0 0 0 28 21 1 1 0 0 29 24 1 6 0 0 30 25 1 1 0 0 31 26 1 6 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 37 18 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 M END > LMPK12111222 > Nepetin 7-rhamnoside-3'-xyloside > 5,7,3',4'-Tetrahydroxy-6-methoxyflavone 7-rhamnoside-3'-xyloside > C27H30O15 > 594.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > IZTPDWABAMXXLT-YGRFFGGVSA-N > InChI=1S/C27H30O15/c1-9-19(31)22(34)24(36)27(39-9)42-17-7-16-18(21(33)25(17)37-2)12(29)6-14(40-16)10-3-4-11(28)15(5-10)41-26-23(35)20(32)13(30)8-38-26/h3-7,9,13,19-20,22-24,26-28,30-36H,8H2,1-2H3/t9-,13+,19-,20-,22+,23+,24+,26-,27-/m0/s1 > C1C=C(O)C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)=CC=1C1=CC(=O)C2C(O)=C(OC)C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=CC=2O1 > - > - > - > - > - > - > 178336093 > - > - > - > - > - > 33090; 330163 > - $$$$