LMPK12140376 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 7.5170 14.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4106 15.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5209 13.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4197 12.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3132 13.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3088 14.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 12.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1051 13.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1005 14.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2023 15.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9204 15.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8182 14.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7122 15.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7082 16.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 16.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9164 16.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2129 12.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 14.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4197 12.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5306 16.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5030 14.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2825 11.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 12.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8164 10.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3816 9.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9154 8.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8826 8.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4157 7.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9818 6.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0147 7.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4816 7.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5157 6.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3788 13.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7123 11.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1719 10.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8985 12.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6706 13.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6085 13.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7744 12.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 11.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0663 11.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2961 11.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3315 11.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 4 19 1 0 0 0 0 14 20 1 0 0 0 0 13 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 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 1 0 0 37 21 1 1 0 0 38 33 1 6 0 0 39 34 1 1 0 0 40 35 1 6 0 0 42 43 1 0 0 0 43 22 1 0 0 0 0 M END > LMPK12140376 > > (2S)-5,7,3',4'-Tetrahydroxyflavanone 3'-(6-p-coumaroylglucoside) > C30H28O13 > 596.15 > Polyketides [PK] > Flavonoids [PK12] > Flavanones [PK1214] > - > > BPWQQRVJKWQVQP-LJYGTMIOSA-N > InChI=1S/C30H28O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-27(37)28(38)29(39)30(43-24)42-22-9-15(4-7-18(22)33)21-12-20(35)26-19(34)10-17(32)11-23(26)41-21/h1-11,21,24,27-34,37-39H,12-13H2/b8-3+/t21-,24+,27+,28-,29+,30+/m0/s1 > C1(O)C=C(O)C2C(=O)C[C@@H](C3C=CC(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=CC=5)=O)O4)C=3)OC=2C=1 > - > - > - > - > - > - > 42607981 > - > - > - > - > - > 33090 > - $$$$