LMPK12112375 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 12.0726 10.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0726 9.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9190 9.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7654 9.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7654 10.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9190 11.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6118 9.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4584 9.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4584 10.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6118 11.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6118 8.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3211 11.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1838 10.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0465 11.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0465 12.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1838 12.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3211 12.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9190 8.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9093 12.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3195 11.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3155 9.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1838 13.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0465 14.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 9.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6172 9.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3243 10.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6820 11.8870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0774 12.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3336 11.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9786 10.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9720 9.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3257 10.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6807 11.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0342 12.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9226 7.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2126 5.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2091 5.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2660 8.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 6.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2721 8.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9210 7.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5638 6.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5620 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9132 7.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9114 7.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0416 8.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0273 6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2896 5.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4380 7.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3097 8.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1727 7.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1643 6.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2954 6.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4324 6.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5635 6.1831 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 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 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 29 1 0 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 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 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 1 0 0 40 24 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 29 20 1 1 0 0 54 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 6 0 0 50 21 1 1 0 0 51 46 1 6 0 0 52 47 1 6 0 0 53 48 1 1 0 0 M END > LMPK12112375 > Isorhamnetin 3-rhamnoside-7-sophoroside > > C34H42O21 > 786.22 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > UZWMBAJGHLQGAJ-RUNAXHSPSA-N > InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(49-10)54-30-23(42)19-14(38)6-12(7-16(19)51-29(30)11-3-4-13(37)15(5-11)48-2)50-34-31(26(45)22(41)18(9-36)53-34)55-33-28(47)25(44)21(40)17(8-35)52-33/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3/t10-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,31+,32-,33-,34+/m0/s1 > C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44259389 > - > - > - > - > - > 33090 > - $$$$