LMPK12112116 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 11.9509 12.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9509 11.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8406 11.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7303 11.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7303 12.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8406 13.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 11.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5097 11.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5097 12.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 13.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 10.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3989 13.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3059 12.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2128 13.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2128 14.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3059 14.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3989 14.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0616 13.2567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1401 11.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8406 10.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2265 14.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3059 15.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8730 11.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0529 10.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4266 11.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3356 13.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7947 13.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1541 12.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0599 11.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1470 11.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3340 12.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4283 13.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6152 13.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4467 9.4961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7620 7.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7949 7.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8321 9.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3401 7.8178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8199 10.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4631 9.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1187 8.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1352 8.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4920 8.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5084 8.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0943 10.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9023 9.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0598 7.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4310 8.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3492 9.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1730 9.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0787 9.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1573 8.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3336 7.6418 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 28 18 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 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 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 53 48 1 0 0 0 48 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 49 34 1 1 0 0 50 45 1 6 0 0 51 46 1 1 0 0 52 47 1 6 0 0 39 19 1 1 0 0 M END > LMPK12112116 > Quercetin 3-sambubioside-7-glucoside > > C32H38O21 > 758.19 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > KCEXPTPKOFCLLQ-SHXZUOBJSA-N > InChI=1S/C32H38O21/c33-6-16-20(40)23(43)26(46)31(50-16)48-10-4-13(37)18-15(5-10)49-27(9-1-2-11(35)12(36)3-9)28(22(18)42)52-32-29(24(44)21(41)17(7-34)51-32)53-30-25(45)19(39)14(38)8-47-30/h1-5,14,16-17,19-21,23-26,29-41,43-46H,6-8H2/t14-,16-,17-,19+,20-,21-,23+,24+,25-,26-,29-,30+,31-,32+/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=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 > - > - > - > - > - > - > 44259165 > - > - > - > - > - > 33090 > - $$$$