LMPK12112273 LIPID_MAPS_STRUCTURE_DATABASE 85 92 0 0 0 999 V2000 13.0162 14.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1185 14.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1185 15.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0162 16.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9139 15.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9139 14.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2208 14.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3231 14.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4256 14.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4256 13.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3231 12.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2208 13.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5279 14.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 14.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 13.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5279 12.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3231 11.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 14.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9734 12.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5279 11.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6575 16.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0162 17.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7723 16.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8074 16.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3250 15.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3601 15.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8784 15.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9150 15.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4332 15.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9150 16.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8784 16.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4682 15.9434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4325 17.7374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4676 17.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4325 14.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4676 14.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9517 10.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4343 9.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9869 10.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5046 9.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5397 9.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0580 8.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0945 8.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6128 9.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0945 10.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0580 10.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6478 9.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6121 11.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6472 11.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6121 7.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6472 7.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6589 16.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6474 14.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6345 12.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6453 14.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2749 11.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1518 15.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1524 15.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6468 14.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1403 13.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1396 13.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6332 12.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0304 19.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7710 20.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4921 19.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7499 17.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2453 17.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8838 17.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8909 18.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7640 19.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6245 18.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6174 17.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4779 17.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2723 15.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3786 11.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8467 9.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9135 8.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7389 11.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4195 9.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7094 11.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4119 10.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1441 9.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1776 9.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 10.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5084 10.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 23 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 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 28 35 1 0 0 0 0 35 36 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 41 1 0 0 0 0 44 47 1 0 0 0 0 45 48 1 0 0 0 0 48 49 1 0 0 0 0 43 50 1 0 0 0 0 50 51 1 0 0 0 0 56 62 1 0 0 0 61 55 1 0 0 0 55 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 1 0 0 57 21 1 1 0 0 58 52 1 6 0 0 59 53 1 1 0 0 60 54 1 6 0 0 67 73 1 0 0 0 72 66 1 0 0 0 66 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 0 0 0 72 73 1 1 0 0 68 22 1 1 0 0 69 63 1 6 0 0 70 64 1 1 0 0 71 65 1 6 0 0 23 74 2 0 0 0 23 67 1 0 0 0 79 85 1 0 0 0 84 78 1 0 0 0 78 80 1 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 1 0 0 80 19 1 1 0 0 81 75 1 6 0 0 82 76 1 1 0 0 83 77 1 6 0 0 75 37 1 0 0 0 0 M END > LMPK12112273 > Quercetin 3-(2''-sinapoylglucoside)-3'-(6''-sinapoylglucoside)-4'-glucoside > > C55H60O30 > 1200.32 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > MSTNHYRQLRIDJE-WNLBISQXSA-N > InChI=1S/C55H60O30/c1-73-29-11-21(12-30(74-2)39(29)62)5-9-36(60)77-20-35-43(66)46(69)49(72)54(83-35)80-27-15-23(7-8-26(27)79-53-48(71)45(68)41(64)33(18-56)81-53)50-51(44(67)38-25(59)16-24(58)17-28(38)78-50)85-55-52(47(70)42(65)34(19-57)82-55)84-37(61)10-6-22-13-31(75-3)40(63)32(14-22)76-4/h5-17,33-35,41-43,45-49,52-59,62-66,68-72H,18-20H2,1-4H3/b9-5+,10-6+/t33-,34-,35-,41-,42-,43-,45+,46+,47+,48-,49-,52-,53-,54-,55+/m1/s1 > C1C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C3C=C(OC)C(O)=C(OC)C=3)O2)=CC=1C1=C(O[C@H]2[C@H](OC(/C=C/C3C=C(OC)C(O)=C(OC)C=3)=O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)C2C(O)=CC(O)=CC=2O1 > - > - > - > - > - > - > 44259317 > - > - > - > - > - > 33090 > - $$$$