LMPK12113181 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 7.6067 11.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6067 10.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4811 9.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3554 10.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3554 11.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4811 11.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2298 9.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1041 10.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1041 11.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2298 11.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2298 9.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9782 11.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8695 11.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7605 11.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7605 13.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8695 13.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9782 13.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0736 9.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4811 8.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7569 13.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8695 14.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4811 13.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6336 11.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4477 10.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6195 8.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9886 8.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1162 6.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8998 9.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7193 10.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6282 9.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7138 8.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8941 8.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9799 7.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2576 4.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2622 4.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1305 6.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5502 7.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1210 6.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6916 5.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6914 5.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1257 6.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5550 7.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9891 7.9998 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 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 16 22 1 0 0 0 0 6 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 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 43 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 0 0 0 43 44 1 6 0 0 39 28 1 1 0 0 40 35 1 6 0 0 41 36 1 6 0 0 42 37 1 1 0 0 29 19 1 1 0 0 M END > LMPK12113181 > Gossypetin 3-rutinoside > > C27H30O17 > 626.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ULRCWZOYADTIMQ-HWFSLJQCSA-N > InChI=1S/C27H30O17/c1-7-15(32)19(36)21(38)26(41-7)40-6-13-17(34)20(37)22(39)27(42-13)44-25-18(35)14-11(30)5-12(31)16(33)24(14)43-23(25)8-2-3-9(28)10(29)4-8/h2-5,7,13,15,17,19-22,26-34,36-39H,6H2,1H3/t7-,13+,15-,17+,19+,20-,21+,22+,26+,27-/m0/s1 > C1(O)=C(O)C2OC(C3C=C(O)C(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](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 102154188 > - > - > - > - > - > 33090 > - $$$$