LMPK12112121 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 12.1254 12.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1254 11.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0068 10.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8881 11.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8881 12.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0068 12.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7696 10.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6509 11.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6509 12.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7696 12.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7696 9.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5320 12.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4304 12.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3287 12.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3287 13.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4304 14.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5320 13.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2443 12.7021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0068 9.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9302 14.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6398 10.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4304 15.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4866 8.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3383 6.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3491 6.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0694 9.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0854 7.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0690 9.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4918 8.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9153 7.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9208 7.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4980 8.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5032 8.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9184 6.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7585 4.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7707 4.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5091 7.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5135 5.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5080 7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9245 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3421 5.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3482 5.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9318 6.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9378 6.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8828 10.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9970 10.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4779 11.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5391 13.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9722 12.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3040 12.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 11.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1776 11.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 11.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5989 12.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8394 13.3272 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 15 1 0 0 0 0 21 8 1 0 0 0 0 16 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 28 1 0 0 0 28 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 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 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 39 27 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 28 21 1 1 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 18 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 M END > LMPK12112121 > Quercetin 3-gentiobioside-7-glucoside > > C33H40O22 > 788.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > YPWUHQOSVLBEID-GZIDCZEMSA-N > InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-8-17-21(41)25(45)28(48)33(54-17)55-30-22(42)18-13(38)4-10(50-32-27(47)24(44)20(40)16(7-35)53-32)5-14(18)51-29(30)9-1-2-11(36)12(37)3-9/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 10123333 > - > - > - > - > - > 33090 > - $$$$