LMPK12111755 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 999 V2000 12.0329 12.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0329 11.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8758 11.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7188 11.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7188 12.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8758 13.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5617 11.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4047 11.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4047 12.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5617 13.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5617 10.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2474 13.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1067 12.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9658 13.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9658 14.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1067 14.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2474 14.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8758 10.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1902 13.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8248 14.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9790 10.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0016 11.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1815 10.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5552 11.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4642 13.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9233 12.8691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2828 12.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1885 11.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2756 11.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4626 11.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5569 12.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7438 13.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1353 9.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2892 7.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2996 7.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5671 9.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8980 8.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5665 10.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1405 9.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7152 8.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7204 8.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1465 9.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1517 8.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8757 10.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6019 9.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5853 7.3194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9916 7.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9971 8.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8672 9.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7320 8.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7235 7.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8534 7.3295 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 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 1 0 0 27 19 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 52 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 48 33 1 1 0 0 49 44 1 6 0 0 50 45 1 1 0 0 51 46 1 6 0 0 38 21 1 1 0 0 M END > LMPK12111755 > Kaempferol 3-sambubioside-7-glucoside > > C32H38O20 > 742.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ZLIBDUVXNWMLCR-SHXZUOBJSA-N > InChI=1S/C32H38O20/c33-7-16-20(39)23(42)26(45)31(49-16)47-12-5-13(36)18-15(6-12)48-27(10-1-3-11(35)4-2-10)28(22(18)41)51-32-29(24(43)21(40)17(8-34)50-32)52-30-25(44)19(38)14(37)9-46-30/h1-6,14,16-17,19-21,23-26,29-40,42-45H,7-9H2/t14-,16-,17-,19+,20-,21-,23+,24+,25-,26-,29-,30+,31-,32+/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 178336114 > - > - > - > - > - > 33090 > - $$$$