LMPK12113191 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 7.5588 11.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5588 10.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 9.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2116 10.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2116 11.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 11.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0381 9.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8647 10.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8647 11.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0381 11.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0381 8.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6908 11.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5331 11.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3755 11.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3755 12.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5331 12.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6908 12.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 8.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8574 9.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2259 12.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5331 13.8111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 12.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0090 12.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1784 14.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4587 10.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2728 9.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4445 7.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8136 8.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9412 6.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7248 9.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5443 9.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4532 9.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5388 8.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7192 7.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8049 6.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0826 4.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0872 4.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9556 5.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3752 7.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9460 6.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5167 5.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5165 5.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9507 6.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3801 6.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8141 7.7748 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 3 18 1 0 0 0 0 19 8 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 6 23 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 30 36 1 0 0 0 35 29 1 0 0 0 29 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 45 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 0 0 0 44 45 1 0 0 0 45 46 1 6 0 0 41 30 1 1 0 0 42 37 1 6 0 0 43 38 1 6 0 0 44 39 1 1 0 0 31 19 1 1 0 0 M END > LMPK12113191 > Limocitrin 3-rutinoside > > C29H34O17 > 654.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > SCMBTGLLYCNHPV-GSRPHVBRSA-N > InChI=1S/C29H34O17/c1-9-17(33)20(36)22(38)28(43-9)42-8-15-18(34)21(37)23(39)29(44-15)46-27-19(35)16-12(31)7-13(32)25(41-3)26(16)45-24(27)10-4-5-11(30)14(6-10)40-2/h4-7,9,15,17-18,20-23,28-34,36-39H,8H2,1-3H3/t9-,15+,17-,18+,20+,21-,22+,23+,28+,29-/m0/s1 > C1(O)=C(OC)C2OC(C3C=C(OC)C(O)=CC=3)=C(O[C@H]3[C@H](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 > - > - > - > - > - > - > 44715594 > - > - > - > - > - > 33090 > - $$$$