LMPK12112492 LIPID_MAPS_STRUCTURE_DATABASE 42 45 0 0 0 999 V2000 8.5679 9.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5504 9.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5504 10.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5679 11.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5855 10.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5855 9.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5330 9.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5154 9.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5154 10.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5330 11.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4451 11.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3993 10.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3536 11.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3536 12.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3993 13.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4451 12.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1826 12.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3993 13.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0221 14.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.3552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5679 8.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5330 8.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6452 9.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1581 10.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1319 10.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5211 8.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8546 6.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3142 5.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0408 7.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7790 4.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8129 8.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7508 7.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 6.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1465 6.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2086 6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 5.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4607 8.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6344 9.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2268 8.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7943 6.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5603 6.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9679 5.0775 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 2 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 9 11 1 0 0 0 0 11 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 11 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 5 20 1 0 0 0 0 1 21 1 0 0 0 0 7 22 2 0 0 0 0 8 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 30 36 1 0 0 0 35 29 1 0 0 0 29 31 1 0 0 0 31 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 1 0 0 31 23 1 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 26 37 1 0 0 0 37 38 2 0 0 0 37 39 1 0 0 0 27 40 1 0 0 0 40 41 2 0 0 0 40 42 1 0 0 0 M END > LMPK12112492 > 3',5'-O-Dimethylmyricetin 3-O-beta-D-2'',3''-diacetylglucopyranoside > > C27H28O15 > 592.14 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Syringetin 3-(2'',3''-diacetylglucoside) > ABOCRUNJMFWRRX-FGZZQOONSA-N > InChI=1S/C27H28O15/c1-10(29)38-24-21(34)18(9-28)41-27(26(24)39-11(2)30)42-25-22(35)19-14(32)7-13(31)8-15(19)40-23(25)12-5-16(36-3)20(33)17(6-12)37-4/h5-8,18,21,24,26-28,31-34H,9H2,1-4H3/t18-,21-,24+,26-,27+/m1/s1 > C1(O)C=C(O)C=C2OC(C3C=C(OC)C(O)=C(OC)C=3)=C(O[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@H](CO)O3)C(=O)C=12 > - > - > - > - > - > - > 12096314 > - > - > - > - > - > 33090 > - $$$$