LMPK12112110 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 0 0 0 0 0999 V2000 4.6589 -5.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6589 -6.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 -6.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3668 -6.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3668 -5.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 -4.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 -6.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0746 -6.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0746 -5.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 -4.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 -7.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9285 -4.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 -5.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6691 -4.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6691 -3.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 -3.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9285 -3.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8053 -4.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1154 -6.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 -7.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6423 -3.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 -2.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -11.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8881 -7.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9723 -9.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2645 -10.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2800 -8.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 -9.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1367 -7.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0338 -8.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0749 -9.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2210 -9.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3235 -9.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4696 -9.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2201 -11.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7444 -10.3679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 -8.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6478 -9.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4197 -10.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -10.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 -10.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -9.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2004 -8.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9427 -9.7088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6142 -8.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7897 -6.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2991 -7.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8804 -8.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8582 -8.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3179 -8.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6242 -7.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7356 -7.7645 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 28 34 1 0 0 0 33 27 1 0 0 0 27 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 0 0 0 33 34 1 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 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 42 43 1 6 0 0 38 28 1 1 0 0 40 35 1 6 0 0 41 36 1 1 0 0 45 44 1 0 0 0 50 45 1 0 0 0 51 46 1 6 0 0 50 47 1 1 0 0 48 52 1 0 0 0 49 48 1 0 0 0 50 49 1 0 0 0 51 50 1 0 0 0 52 51 1 0 0 0 52 24 1 1 0 0 39 23 1 6 0 0 29 19 1 1 0 0 M END > LMPK12112110 > Quercetin 3-(2G-apiosylrutinoside) > 2-(3,4-Dihydroxyphenyl)-3-[2-O-(D-apio-beta-D-furanosyl)-6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one > C32H38O20 > 742.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > UPVDFUGORYNXMW-OEPZVFIMSA-N > InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,27+,28-,29+,30-,31-,32-/m0/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@@H]([C@](CO4)(O)CO)O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 178336164 > - > - > - > - > - > 33090; 52877 > - $$$$