LMPK12112203 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 13.8632 9.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 7.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7821 7.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7010 7.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7010 9.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7821 9.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6198 7.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5385 7.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5385 9.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6198 9.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6198 6.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6954 9.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6319 9.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5684 9.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5684 10.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6319 11.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6954 10.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7821 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5707 11.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0457 9.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4690 7.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6319 12.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0910 7.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3829 6.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6803 7.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3828 9.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7893 9.0956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2396 9.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2397 8.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3828 7.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5317 8.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5317 9.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6803 9.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7753 7.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0603 6.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3646 7.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0812 9.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9344 8.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9274 7.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0671 7.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2194 7.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2264 8.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 9.1196 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 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 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 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 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 20 1 1 0 0 M END > LMPK12112203 > Quercetin 7-rutinoside > > C27H30O16 > 610.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > IVTMALDHFAHOGL-YKTBBAMGSA-N > InChI=1S/C27H30O16/c1-8-17(31)20(34)23(37)26(40-8)39-7-15-18(32)21(35)24(38)27(43-15)41-10-5-13(30)16-14(6-10)42-25(22(36)19(16)33)9-2-3-11(28)12(29)4-9/h2-6,8,15,17-18,20-21,23-24,26-32,34-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,23+,24+,26+,27+/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(=O)C=2C(O)=C1 > - > - > - > - > - > - > 101764560 > - > - > - > - > - > 33090 > - $$$$