LMPK12112164 LIPID_MAPS_STRUCTURE_DATABASE 66 72 0 0 0 0 0 0 0 0999 V2000 14.1919 7.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0820 7.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0820 8.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1919 9.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3019 8.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3019 7.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9720 7.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8620 7.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8620 8.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9720 9.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8511 9.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7386 8.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6262 9.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6262 10.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7386 10.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8511 10.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4180 10.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1919 6.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9720 6.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6726 7.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0028 8.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2438 9.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2658 10.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 10.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3858 11.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 12.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0879 11.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1073 10.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5505 12.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 13.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7386 11.5666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9747 7.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0874 7.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7179 7.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7281 5.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6929 3.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6601 5.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3036 2.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1777 6.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2003 6.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7055 5.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1879 4.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1653 4.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6477 3.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4169 9.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2318 7.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1954 7.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3483 9.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9728 10.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4008 9.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8084 8.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7877 8.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3643 9.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9567 10.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 11.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0026 5.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1426 4.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4806 6.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 7.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8348 7.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2681 7.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1717 6.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2388 5.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4079 6.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5043 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6733 8.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 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 3 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 7 19 2 0 0 0 0 8 20 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 15 31 1 0 0 0 0 32 21 1 0 0 0 0 32 33 2 0 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 1 0 0 39 20 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 5 45 1 0 0 0 54 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 6 0 0 50 45 1 1 0 0 51 46 1 6 0 0 52 47 1 6 0 0 53 48 1 1 0 0 60 66 1 0 0 0 65 59 1 0 0 0 59 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 1 0 0 61 47 1 1 0 0 62 56 1 6 0 0 63 57 1 1 0 0 64 58 1 6 0 0 60 32 1 0 0 0 0 M END > LMPK12112164 > Quercetin 7-O-(6-trans-caffeoyl)-beta-glucopyranosyl-(1->3)-alpha-rhamnopyranoside-3-O-beta-glucopyranoside > 3,5,7,3',4'-Pentahydroxyflavone 7-O-(6-trans-caffeoyl)-beta-glucopyranosyl-(1->3)-alpha-rhamnopyranoside-3-O-beta-glucopyranoside > C42H46O24 > 934.24 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > BAYNPTIBKPKGFB-XYCWGEMUSA-N > InChI=1S/C42H46O24/c1-14-28(50)38(65-41-35(57)33(55)30(52)25(64-41)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15)36(58)42(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)39(31(27)53)66-40-34(56)32(54)29(51)24(12-43)63-40/h2-11,14,24-25,28-30,32-36,38,40-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,38+,40-,41-,42-/m0/s1 > C1(O)C=C(O[C@H]2[C@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C4C=CC(O)=C(O)C=4)O3)[C@@H](O)[C@H](C)O2)C=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)O3)C(=O)C=12 > - > - > - > - > - > - > 101124105 > - > - > - > - > - > 33090; 112591 > - $$$$