LMPK12112492 LIPID_MAPS_STRUCTURE_DATABASE 42 45 0 0 0 0 0 0 0 0999 V2000 8.2630 8.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 9.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 10.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2630 11.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3156 10.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3156 9.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1582 8.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1056 9.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1056 10.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1582 11.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0022 10.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9225 10.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8428 10.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8428 12.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9225 12.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0022 12.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6423 12.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9225 13.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5231 14.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4930 10.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2630 8.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1582 8.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1952 8.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6187 10.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5578 10.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0043 8.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3260 6.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8404 4.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6123 7.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3598 4.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3569 7.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2614 7.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4214 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6787 5.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7741 6.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0313 5.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9105 8.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0780 9.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6493 7.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2322 5.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9710 6.4665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3996 4.8968 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; 549618 > 12770606 $$$$