LMPK12110280 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 17.9248 11.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9189 12.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1624 13.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6692 11.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6633 11.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9070 12.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0050 6.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0050 5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8631 5.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7214 5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7214 6.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8631 7.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5795 5.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4378 5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4378 6.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5795 7.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5795 4.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1471 7.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8631 4.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3910 7.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2953 6.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1998 7.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1998 8.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2953 8.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3910 8.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1034 8.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1465 8.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1467 10.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8773 11.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7467 8.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4316 11.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8786 8.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0119 8.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0134 9.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8787 10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7452 9.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6106 10.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9580 6.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1379 5.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5116 6.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4206 8.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2391 7.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1449 6.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2320 6.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4190 6.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5133 7.9011 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 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 11 2 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 10 13 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 11 1 0 0 0 0 13 17 2 0 0 0 0 7 18 1 0 0 0 0 9 19 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 20 15 1 0 0 0 0 23 26 1 0 0 0 0 31 37 1 0 0 0 36 30 1 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 1 0 0 33 27 1 6 0 0 34 28 1 1 0 0 35 29 1 6 0 0 32 12 1 1 0 0 46 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 0 0 0 45 46 1 0 0 0 42 27 1 1 0 0 43 38 1 6 0 0 44 39 1 1 0 0 45 40 1 6 0 0 5 31 1 0 0 0 0 M END > LMPK12110280 > Vitexin 6''-O-malonyl 2''-O-xyloside > > C29H30O17 > 650.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > QCKLWMZDBAKXMG-YLTLDQLXSA-N > InChI=1S/C29H30O17/c30-11-3-1-10(2-4-11)16-6-14(33)20-12(31)5-13(32)21(26(20)44-16)27-28(46-29-25(41)22(38)15(34)8-43-29)24(40)23(39)17(45-27)9-42-19(37)7-18(35)36/h1-6,15,17,22-25,27-32,34,38-41H,7-9H2,(H,35,36)/t15-,17-,22+,23-,24+,25-,27+,28-,29+/m1/s1 > O=C(CC(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)[C@H](C2=C(O)C=C(O)C3C(=O)C=C(C4C=CC(O)=CC=4)OC=32)O1)=O)O > - > - > - > - > - > - > 102119111 > - > - > - > - > - > 33090 > - $$$$