LMPK12112472 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 7.5752 11.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5752 10.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 10.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2611 10.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2611 11.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 12.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1040 10.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9469 10.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9469 11.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1040 12.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1040 9.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7897 12.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6489 11.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5080 12.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5080 13.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6489 13.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7897 13.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 9.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8605 10.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 12.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2474 13.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1917 11.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6489 14.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2463 14.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4587 11.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2728 10.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4445 8.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8136 8.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9412 6.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7248 9.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5443 10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4532 9.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5388 8.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7192 8.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8049 7.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0826 5.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0872 4.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9556 6.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3752 7.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9460 6.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5167 5.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5165 5.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9507 6.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3801 7.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8141 8.2998 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 14 22 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 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 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 44 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 0 0 0 44 45 1 6 0 0 40 29 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 43 38 1 1 0 0 30 19 1 1 0 0 M END > LMPK12112472 > Laricitrin 3-rutinoside > > C28H32O17 > 640.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > IEPKWJCBNGNVDF-WQIPHUEGSA-N > InChI=1S/C28H32O17/c1-8-17(32)21(36)23(38)27(42-8)41-7-15-19(34)22(37)24(39)28(44-15)45-26-20(35)16-11(30)5-10(29)6-13(16)43-25(26)9-3-12(31)18(33)14(4-9)40-2/h3-6,8,15,17,19,21-24,27-34,36-39H,7H2,1-2H3/t8-,15+,17-,19+,21+,22-,23+,24+,27+,28-/m0/s1 > C1(O)=CC2OC(C3C=C(OC)C(O)=C(O)C=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 > - > - > - > - > - > - > 101682255 > - > - > - > - > - > 33090 > - $$$$