LMPK12130028 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 0 0 0 0 0999 V2000 8.3545 13.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 13.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 14.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3545 15.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4475 14.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4475 13.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 13.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8730 14.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 15.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6346 15.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4506 12.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9091 14.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0213 14.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5298 13.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5467 13.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0553 14.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5467 15.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5298 15.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7722 14.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3545 12.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0440 11.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0439 9.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3385 8.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4818 10.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8198 10.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3373 11.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1912 10.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1899 9.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3372 9.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4832 9.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6305 9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8217 8.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 8.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8793 10.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3464 10.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8358 10.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3367 9.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 9.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8633 10.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3624 10.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8775 11.7680 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 3 1 0 0 0 0 5 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 40 35 1 0 0 0 35 36 1 0 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 6 0 0 36 25 1 1 0 0 37 32 1 6 0 0 38 33 1 6 0 0 39 34 1 1 0 0 26 20 1 1 0 0 M END > LMPK12130028 > > 6,4'-Dihydroxyaurone 4-O-rutinoside > C27H30O14 > 578.16 > Polyketides [PK] > Flavonoids [PK12] > Aurone flavonoids [PK1213] > - > > OEOFNNDYYLIDDI-TWTNJGHDSA-N > InChI=1S/C27H30O14/c1-10-19(30)22(33)24(35)26(38-10)37-9-17-21(32)23(34)25(36)27(41-17)40-15-8-13(29)7-14-18(15)20(31)16(39-14)6-11-2-4-12(28)5-3-11/h2-8,10,17,19,21-30,32-36H,9H2,1H3/b16-6+/t10-,17+,19-,21+,22+,23-,24+,25+,26+,27+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C=C(O)C=C2O/C(=C/C3C=CC(O)=CC=3)/C(=O)C=12 > - > - > - > - > - > - > 42607760 > - > - > - > - > - > 33090; 1071199 > 15541741 $$$$