LMPK12110449 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 14.1839 8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1839 7.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0415 7.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8989 7.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8989 8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0415 9.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7564 7.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6141 7.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6141 8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7564 9.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7564 6.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4713 9.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3453 8.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2192 9.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2192 10.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3453 10.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4713 10.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3266 9.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0415 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0930 10.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8868 10.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7412 5.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4826 2.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6172 2.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7506 2.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8853 2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8839 3.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7505 4.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6187 3.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7493 1.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0187 2.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0185 4.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8949 5.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8066 6.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8997 7.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8113 8.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6324 8.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5393 8.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6253 7.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0810 6.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9045 8.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5441 9.8955 0.0000 O 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 19 3 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 34 33 1 6 0 0 28 22 1 6 0 0 25 30 1 6 0 0 26 31 1 1 0 0 27 32 1 1 0 0 24 23 1 1 0 0 25 24 1 0 0 0 26 25 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 24 29 1 0 0 0 35 40 1 1 0 0 36 41 1 6 0 0 37 42 1 1 0 0 35 34 1 0 0 0 36 35 1 0 0 0 37 36 1 0 0 0 38 37 1 0 0 0 39 38 1 0 0 0 34 39 1 0 0 0 38 18 1 6 0 0 22 33 1 0 0 0 M END > LMPK12110449 > Acacetin 7-rutinoside > > C28H32O14 > 592.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Linarin; Acaciin; Buddleoside > YFVGIJBUXMQFOF-PJOVQGMDSA-N > InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 > C1(O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO[C@@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)C)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1 > - > - > - > - > - > - > 5317025 > - > - > - > - > - > 33090 > - $$$$