LMPK12112210 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 13.2690 9.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2690 8.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1800 7.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0908 8.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0908 9.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1800 9.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0017 7.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 8.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 9.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0017 9.6541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0017 6.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7438 9.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6721 9.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6005 9.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6005 10.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6721 11.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7438 10.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2079 6.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5941 11.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8348 7.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6721 12.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3273 9.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3767 7.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6687 6.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9660 7.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6685 9.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 9.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5253 9.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5254 8.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6685 7.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8174 8.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8174 9.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9660 9.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0610 7.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3461 6.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6504 7.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3669 9.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2201 8.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2131 7.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3528 7.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5052 7.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5122 8.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6644 9.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5609 6.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5467 4.3916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8090 3.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9573 5.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 3.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8290 6.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6920 5.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6836 4.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8147 4.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9517 4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0828 4.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1787 4.8476 0.0000 O 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 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 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 16 21 1 0 0 0 0 1 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 42 43 1 6 0 0 38 27 1 1 0 0 39 34 1 6 0 0 40 35 1 6 0 0 41 36 1 1 0 0 28 22 1 1 0 0 48 54 1 0 0 0 53 47 1 0 0 0 47 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 1 0 0 49 20 1 1 0 0 50 44 1 6 0 0 51 45 1 1 0 0 52 46 1 6 0 0 54 55 2 0 0 0 M END > LMPK12112210 > Quercetin 3-glucuronide-7-rutinoside > > C33H38O22 > 786.19 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > KEMVXZFKRXUWEW-AJYXMAAKSA-N > InChI=1S/C33H38O22/c1-8-17(37)20(40)24(44)31(50-8)49-7-15-18(38)21(41)25(45)32(53-15)51-10-5-13(36)16-14(6-10)52-27(9-2-3-11(34)12(35)4-9)28(19(16)39)54-33-26(46)22(42)23(43)29(55-33)30(47)48/h2-6,8,15,17-18,20-26,29,31-38,40-46H,7H2,1H3,(H,47,48)/t8-,15+,17-,18+,20+,21-,22-,23-,24+,25+,26+,29-,31+,32+,33+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44259254 > - > - > - > - > - > 33090 > - $$$$