LMPK12020103 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 10.3489 10.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3489 9.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 8.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0391 9.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0391 10.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 10.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8842 8.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7293 9.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7293 10.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8842 10.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4942 10.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5842 8.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5842 10.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4390 10.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2939 10.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2939 11.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4390 12.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5842 11.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 7.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3393 7.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3393 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4845 7.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4845 8.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 9.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 8.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 7.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 7.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 10.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 9.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 7.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1487 12.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4390 13.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0035 11.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8583 12.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0035 10.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7251 11.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5917 12.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5917 13.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7249 13.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8583 13.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7249 14.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4467 13.7605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4467 11.7725 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 3 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 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 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 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 34 1 0 0 0 0 39 41 1 0 0 0 0 38 42 1 0 0 0 0 37 43 1 0 0 0 0 M END > LMPK12020103 > Catechin 5,4'-di-O-gallate > (2R,3S)-3,5,7,3',4'-Pentahydroxyflavan 5,4'-di-O-gallate > C29H22O14 > 594.10 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > VBGYQYGQTICWSM-KDYSTLNUSA-N > InChI=1S/C29H22O14/c30-14-8-23-15(24(9-14)43-29(40)13-6-19(34)26(38)20(35)7-13)10-21(36)27(41-23)11-1-2-22(16(31)3-11)42-28(39)12-4-17(32)25(37)18(33)5-12/h1-9,21,27,30-38H,10H2/t21-,27+/m0/s1 > C1(O)C=C2O[C@H](C3C=C(O)C(OC(=O)C4C=C(O)C(O)=C(O)C=4)=CC=3)[C@@H](O)CC2=C(OC(C2C=C(O)C(O)=C(O)C=2)=O)C=1 > - > - > - > - > - > - > 15689620 > - > - > - > - > - > 33090; 138033 > - $$$$