LMPK12112097 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 7.5066 12.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5066 11.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3765 10.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2463 11.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2463 12.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3765 12.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1160 10.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9860 11.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9860 12.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1160 12.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1160 9.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0810 12.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9677 12.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8542 12.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8542 13.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9677 14.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0810 13.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3765 9.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8029 14.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 12.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8667 10.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9677 15.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5560 9.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3814 7.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5706 6.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9221 9.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0236 6.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8308 9.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6504 9.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5617 8.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6563 7.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8366 8.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9311 7.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2035 10.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0117 9.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1690 7.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5403 7.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4586 8.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2822 9.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1878 9.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2666 8.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4429 7.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5214 6.5768 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 23 1 1 0 0 39 34 1 6 0 0 40 35 1 6 0 0 41 36 1 1 0 0 28 21 1 1 0 0 M END > LMPK12112097 > Quercetin 3-neohesperidoside > > C27H30O16 > 610.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > FYBMGZSDYDNBFX-GXPPAHCZSA-N > InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,25+,26-,27-/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](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > 143037 > - > - > - > 5491657 > - > - > - > - > - > 33090 > - $$$$