LMPK12112090 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 0 0 0 0 0999 V2000 7.5479 12.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5479 11.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4178 10.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2875 11.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2875 12.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4178 12.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1571 10.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 11.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 12.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1571 12.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1571 10.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8962 12.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7826 12.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6692 12.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6692 13.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7826 14.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8962 13.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6785 12.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7215 10.6592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4178 9.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6601 14.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7826 15.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5274 9.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7005 7.8490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0764 6.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0014 9.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5391 6.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8158 9.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7153 9.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8008 8.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9888 7.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0892 8.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2770 7.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5323 11.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 11.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4941 9.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0107 8.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5180 9.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0203 10.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0156 10.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5036 9.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0012 8.9511 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 27 33 1 0 0 0 32 26 1 0 0 0 26 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 0 0 0 32 33 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 42 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 0 0 0 38 23 1 1 0 0 39 34 1 6 0 0 40 35 1 1 0 0 41 36 1 6 0 0 28 19 1 1 0 0 M END > LMPK12112090 > Quercetin 3-sambubioside > 3,3?,4?,5,7-Pentahydroxyflavone 3-xylosyl-(1->2)-beta-D-glucose > C26H28O16 > 596.14 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > 2- (3,4-Dihydroxyphenyl) -3- [ 2-O- (beta-D-xylopyranosyl) -beta-D-glucopyranosyloxy ] -5,7-dihydroxy-4H-1-benzopyran-4-one > NKFZLEYLWAFYEH-CJNLAGEVSA-N > InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1 > C1(O)=CC2OC(C3C=C(O)C(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 > C12637 > - > - > - > - > - > 44259140 > - > - > - > - > - > 33090; 455430 > - $$$$