LMPK12113404 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 999 V2000 7.3293 13.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3293 12.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 11.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1705 12.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1705 13.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 14.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0911 11.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0117 12.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0117 13.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0911 14.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9256 15.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9256 14.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8119 13.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6979 14.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6979 15.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8119 15.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6075 13.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 11.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7091 12.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4389 15.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0911 11.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7091 11.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8431 10.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8431 9.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7091 9.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5751 9.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5751 10.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4413 11.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3073 10.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3073 9.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1733 9.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0394 9.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0393 10.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1733 11.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9770 9.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2109 9.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 9.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5379 8.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7967 7.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7626 7.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4698 8.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1733 12.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9053 11.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9054 9.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1732 8.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 8.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0895 6.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0214 6.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4357 7.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7091 8.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4411 9.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1110 9.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 11 2 0 0 0 9 12 1 0 0 0 1 17 1 0 0 0 3 18 1 0 0 0 8 19 1 0 0 0 15 20 1 0 0 0 7 21 2 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 22 1 0 0 0 27 28 1 6 0 0 29 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 29 1 0 0 0 24 35 1 1 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 40 41 1 0 0 0 41 36 1 0 0 0 34 42 1 6 0 0 33 43 1 6 0 0 32 44 1 1 0 0 31 45 1 6 0 0 38 46 1 6 0 0 39 47 1 1 0 0 40 48 1 6 0 0 41 49 1 6 0 0 25 50 1 6 0 0 26 51 1 1 0 0 22 19 1 1 0 0 29 28 1 1 0 0 35 52 1 0 0 0 36 52 1 1 0 0 M END > LMPK12113404 > Clitorin > 3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one > C33H40O19 > 740.22 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > WRXVPTMENPZUIZ-QEZWUOJGSA-N > InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1 > C1(O)C=C2OC(C3=CC=C(O)C=C3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[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)C2=C(O)C=1 > - > - > - > - > - > - > 11592917 > - > - > - > - > - > 43366 > 12482461 $$$$