LMPK12112152 LIPID_MAPS_STRUCTURE_DATABASE 67 73 0 0 0 0 0 0 0 0999 V2000 16.6985 13.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4697 14.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7756 13.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4573 12.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5448 11.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3774 11.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4574 10.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7049 9.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8722 10.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7923 11.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7850 8.9470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2897 10.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 15.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 14.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0196 14.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9486 14.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9486 15.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0196 16.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8775 14.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8068 14.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8068 15.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8775 16.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8775 13.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7355 16.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6822 15.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6291 16.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6291 17.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6822 17.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7355 17.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1618 16.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5756 17.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4648 13.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0196 13.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0107 12.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6485 10.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7624 10.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3576 12.6543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2336 10.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3041 12.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0677 12.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8848 11.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9419 11.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1783 11.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2352 11.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9002 13.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4275 12.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0637 10.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5934 11.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0415 8.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7734 12.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7182 12.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4829 11.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3009 10.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3562 10.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1742 9.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6822 18.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7423 15.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3654 16.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1412 15.5879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6024 13.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9971 14.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7092 13.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6302 14.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4445 15.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3323 15.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4112 14.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2991 13.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 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 5 1 0 0 0 0 8 11 1 0 0 0 0 7 12 1 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 18 1 0 0 0 0 18 13 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 19 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 13 30 1 0 0 0 0 27 31 1 0 0 0 0 20 32 1 0 0 0 0 15 33 1 0 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 39 1 0 0 0 39 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 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 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 1 0 0 50 34 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 39 32 1 1 0 0 28 56 1 0 0 0 61 67 1 0 0 0 66 60 1 0 0 0 60 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 1 0 0 62 45 1 1 0 0 63 57 1 6 0 0 64 58 1 1 0 0 65 59 1 6 0 0 61 1 1 0 0 0 0 M END > LMPK12112152 > Quercetin 3-(6''''-caffeylsophorotrioside) > 3,5,7,3',4'-Pentahydroxyflavone 3-(6""-caffeylsophorotrioside) > C42H46O25 > 950.23 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > XXCKFJNPDRDYOK-CSMFWIJVSA-N > InChI=1S/C42H46O25/c43-11-23-29(53)34(58)39(41(62-23)65-37-31(55)27-21(50)9-16(45)10-22(27)61-36(37)15-3-5-18(47)20(49)8-15)67-42-38(33(57)28(52)24(12-44)63-42)66-40-35(59)32(56)30(54)25(64-40)13-60-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40+,41+,42+/m1/s1 > C(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C(C3C=C(O)C(O)=CC=3)OC3C=C(O)C=C(O)C=3C2=O)O1)(/C=C/C1C=CC(O)=C(O)C=1)=O > - > - > - > - > - > - > 101929534 > - > - > - > - > - > 33090; 3888 > - $$$$