LMPK12113220 LIPID_MAPS_STRUCTURE_DATABASE 38 41 0 0 0 999 V2000 8.3859 8.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3859 7.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2945 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2031 7.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2031 8.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2945 9.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1116 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0202 7.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0202 8.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1116 9.5077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1116 6.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1643 9.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0904 9.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0165 9.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0165 10.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0904 11.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1643 10.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2945 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0075 11.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 9.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0904 12.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5188 7.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6881 7.3337 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6881 8.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9218 7.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6881 6.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2988 10.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 12.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0213 13.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0121 14.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7259 11.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4090 13.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 11.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1579 12.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5895 13.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5849 13.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1530 12.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1484 12.4276 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 25 8 1 0 0 0 0 27 6 1 0 0 0 0 32 38 1 0 0 0 37 31 1 0 0 0 31 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 1 0 0 33 27 1 1 0 0 34 28 1 6 0 0 35 29 1 1 0 0 36 30 1 6 0 0 M END > LMPK12113220 > Gossypetin 8-glucoside-3-sulfate > > C21H20O16S > 560.05 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > DMAOYRIREVHKFQ-OFEDHLHNSA-N > InChI=1S/C21H20O16S/c22-5-11-13(27)15(29)16(30)21(34-11)36-18-10(26)4-9(25)12-14(28)20(37-38(31,32)33)17(35-19(12)18)6-1-2-7(23)8(24)3-6/h1-4,11,13,15-16,21-27,29-30H,5H2,(H,31,32,33)/t11-,13-,15+,16-,21+/m1/s1 > C1(O)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC(C3C=C(O)C(O)=CC=3)=C(OS(=O)(=O)O)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 101421038 > - > - > - > - > - > 33090 > - $$$$