LMPK12110440 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 12.2815 9.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3619 9.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4421 9.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4421 8.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3619 7.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2815 8.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5224 9.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6029 9.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6029 8.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5224 7.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7717 9.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5224 6.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3619 6.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2876 9.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2074 9.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1270 9.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1270 10.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2074 11.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2876 10.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9189 11.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7659 10.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2096 6.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3285 5.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8003 6.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 8.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2841 8.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6191 7.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4454 6.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7381 7.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9119 8.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1479 8.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3144 3.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5738 2.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8527 3.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5949 5.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4609 4.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 3.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 3.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7203 4.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7274 5.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5022 6.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 26 31 1 0 0 0 30 25 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 29 30 1 0 0 0 30 31 1 1 0 0 28 22 1 6 0 0 29 24 1 6 0 0 27 9 1 1 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 23 1 1 0 0 37 32 1 6 0 0 38 33 1 1 0 0 39 34 1 6 0 0 41 23 1 1 0 0 28 41 1 0 0 0 41 29 1 0 0 0 M END > LMPK12110440 > Isocytisoside 3''-O-beta-D-xylopyranoside > > C27H30O14 > 578.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > AKSCHGHGSDJKKV-RKYDDUBNSA-N > InChI=1S/C27H30O14/c1-37-11-4-2-10(3-5-11)15-6-12(29)18-16(39-15)7-13(30)19(22(18)34)25-24(36)26(21(33)17(8-28)40-25)41-27-23(35)20(32)14(31)9-38-27/h2-7,14,17,20-21,23-28,30-36H,8-9H2,1H3/t14-,17-,20+,21-,23-,24+,25+,26+,27+/m1/s1 > C1(C2C=CC(OC)=CC=2)=CC(=O)C2C(O)=C([C@H]3[C@@H]([C@H]([C@H](O)[C@@H](CO)O3)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)O)C(O)=CC=2O1 > - > - > - > - > - > - > 44257879 > - > - > - > - > - > 33090 > - $$$$