LMPK12112006 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 999 V2000 7.5066 10.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5066 9.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3483 9.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1901 9.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1901 10.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3483 11.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0319 9.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8738 9.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8738 10.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0319 11.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0319 8.6523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7152 11.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5733 10.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4312 11.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4312 12.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5733 12.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7152 12.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3483 8.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7152 9.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3483 12.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5069 12.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5069 13.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6654 14.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3483 14.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2229 12.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8907 12.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5910 8.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9245 6.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3841 5.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1107 7.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8829 8.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8207 8.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9866 7.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2164 6.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2786 6.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 6.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6040 10.4388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6056 10.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5897 8.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0862 7.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5622 7.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5895 8.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0960 9.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0993 9.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5912 8.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0847 7.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5767 6.9607 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 8 19 1 0 0 0 0 1 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 36 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 0 0 0 36 37 1 6 0 0 32 19 1 1 0 0 33 28 1 6 0 0 34 29 1 6 0 0 35 30 1 1 0 0 42 48 1 0 0 0 47 41 1 0 0 0 41 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 1 0 0 43 28 1 1 0 0 44 38 1 6 0 0 45 39 1 1 0 0 46 40 1 6 0 0 M END > LMPK12112006 > Sagittatoside A > > C33H40O15 > 676.24 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Icariin-A > COHHGQPQHHUMDG-WVQJJEIESA-N > InChI=1S/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-24(39)30(28(46-29(17)21)15-6-8-16(43-4)9-7-15)47-33-31(26(41)22(37)14(3)44-33)48-32-27(42)25(40)23(38)20(12-34)45-32/h5-9,11,14,20,22-23,25-27,31-38,40-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25-,26+,27+,31+,32-,33-/m0/s1 > C1(O)=C(C/C=C(\C)/C)C2OC(C3C=CC(OC)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1 > - > - > 197154 > - > - > - > 13916054 > - > - > - > - > - > 33090; 253616 > - $$$$