LMPK12020101 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 11.0767 10.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0767 9.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9175 8.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7584 9.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7584 10.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9175 10.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5993 8.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4402 9.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4402 10.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5993 10.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2261 10.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2909 8.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2909 10.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1415 10.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9921 10.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9921 11.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1415 12.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2909 11.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8427 12.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9175 7.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1415 13.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2261 11.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3755 12.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0767 12.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4794 11.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5832 12.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5832 13.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4794 13.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3754 13.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 13.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4794 14.7712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0670 7.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0670 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2163 7.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2163 8.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2726 9.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3288 8.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3288 7.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2726 7.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2726 10.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4782 9.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4782 7.3428 0.0000 O 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 8 12 1 1 0 0 0 9 13 1 6 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 19 16 1 0 0 0 0 3 20 1 0 0 0 0 17 21 1 0 0 0 0 11 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 23 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 20 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 M END > LMPK12020101 > Catechin 5,7,-di-O-gallate > (2R,3S)-3,5,7,3',4'-Pentahydroxyflavan 5,7,-di-O-gallate > C29H22O14 > 594.10 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > MGDQRNRPBMGXIA-WXVAWEFUSA-N > InChI=1S/C29H22O14/c30-16-2-1-11(3-17(16)31)27-22(36)10-15-23(42-27)8-14(41-28(39)12-4-18(32)25(37)19(33)5-12)9-24(15)43-29(40)13-6-20(34)26(38)21(35)7-13/h1-9,22,27,30-38H,10H2/t22-,27+/m0/s1 > C1(OC(=O)C2C=C(O)C(O)=C(O)C=2)C=C2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](O)CC2=C(OC(C2C=C(O)C(O)=C(O)C=2)=O)C=1 > - > - > - > - > - > - > 15689621 > - > - > - > - > - > 33090; 138033 > - $$$$