LMPK12110702 LIPID_MAPS_STRUCTURE_DATABASE 42 45 0 0 0 0 0 0 0 0999 V2000 17.5106 9.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5106 8.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3518 7.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1930 8.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1930 9.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3518 9.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0343 7.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8755 8.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8755 9.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0343 9.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0343 6.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7165 9.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5736 9.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4309 9.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4309 10.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5736 10.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7165 10.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3518 6.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6501 9.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2880 10.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5736 11.9710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7488 11.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6860 11.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6860 12.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7810 11.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8194 11.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7933 11.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5839 11.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8194 12.8115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7104 11.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7104 12.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 11.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2656 7.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2600 6.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6446 8.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8366 9.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6502 9.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 8.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4521 7.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6445 8.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8368 9.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0290 10.2492 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 19 1 1 0 0 0 0 15 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 30 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 41 36 1 0 0 0 36 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 1 0 0 37 19 1 1 0 0 38 33 1 6 0 0 39 34 1 1 0 0 40 35 1 6 0 0 22 42 1 0 0 0 M END > LMPK12110702 > Luteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside] > 7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one > C27H28O15 > 592.14 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > YDYBENNBRUQBCG-KJTOLNCNSA-N > InChI=1S/C27H28O15/c1-27(38,8-20(32)33)9-21(34)39-10-19-23(35)24(36)25(37)26(42-19)40-12-5-15(30)22-16(31)7-17(41-18(22)6-12)11-2-3-13(28)14(29)4-11/h2-7,19,23-26,28-30,35-38H,8-10H2,1H3,(H,32,33)/t19-,23-,24+,25-,26-,27?/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(O)(C)CC(O)=O)=O)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1 > - > - > - > - > - > - > 101428115 > - > - > - > - > - > 33090; 105340 > - $$$$