LMPK12112713 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 20.6836 8.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7807 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7807 10.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6836 11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5864 10.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5864 9.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8779 8.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9751 9.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0722 8.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0722 7.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9751 7.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8779 7.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1693 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2664 8.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2664 7.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1693 7.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9751 6.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3636 9.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7807 7.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1693 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4893 11.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6836 12.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6836 7.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8679 7.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4424 6.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5179 6.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6859 9.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4384 7.7973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6535 8.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9056 7.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1902 7.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2280 7.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9759 8.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0136 8.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5797 5.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5844 5.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4527 7.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8723 8.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3445 9.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4432 7.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0139 6.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0136 6.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4479 7.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8772 8.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3113 9.2824 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 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 19 23 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 1 0 0 29 18 1 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 40 28 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 M END > LMPK12112713 > Madreselvin A > > C28H32O17 > 640.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Quercetin 3-methyl ether 7-gentiobioside > CWHCBJYWFQQIOT-GZKNRDGBSA-N > InChI=1S/C28H32O17/c1-40-26-20(35)17-13(32)5-10(6-14(17)43-25(26)9-2-3-11(30)12(31)4-9)42-28-24(39)22(37)19(34)16(45-28)8-41-27-23(38)21(36)18(33)15(7-29)44-27/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28-/m1/s1 > C1C=C(O)C(O)=CC=1C1=C(OC)C(=O)C2C(O)=CC(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](CO)O4)O3)=CC=2O1 > - > - > - > - > - > - > 10556117 > - > - > - > - > - > 33090; 566143 > - $$$$