LMPK12110984 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 11.9372 9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9372 8.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7955 8.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6539 8.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6539 9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7955 10.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5122 8.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3706 8.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3706 9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5122 10.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5122 7.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7955 7.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4194 10.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3239 10.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2285 10.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2285 11.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3239 12.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4194 11.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1325 12.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1593 10.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8373 6.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1038 5.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3756 6.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1036 8.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6127 8.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9732 8.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9732 7.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1036 6.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2397 7.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2397 8.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3756 8.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7742 7.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1794 6.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6466 4.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2742 5.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5393 6.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5076 6.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2111 5.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9446 4.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9762 4.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1594 11.4269 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 3 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 40 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 36 21 1 1 0 0 37 32 1 6 0 0 38 33 1 1 0 0 39 34 1 6 0 0 20 41 1 0 0 0 26 2 1 1 0 0 M END > LMPK12110984 > Swertisin 2''-O-xyloside > > C27H30O14 > 578.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ITURUJYQEZMYRK-NPPOERFCSA-N > InChI=1S/C27H30O14/c1-37-15-7-16-18(12(30)6-14(39-16)10-2-4-11(29)5-3-10)22(34)19(15)25-26(23(35)21(33)17(8-28)40-25)41-27-24(36)20(32)13(31)9-38-27/h2-7,13,17,20-21,23-29,31-36H,8-9H2,1H3/t13-,17-,20+,21-,23+,24-,25+,26-,27+/m1/s1 > C1(OC)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 101422753 > - > - > - > - > - > 33090 > - $$$$