LMPK12020100 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 11.9920 10.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9920 9.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8415 9.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6910 9.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6910 10.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8415 10.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5405 9.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3900 9.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3900 10.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5405 10.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1431 10.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1961 9.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1464 10.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0056 10.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8650 10.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8650 11.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0056 12.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1464 11.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8087 12.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8415 8.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0056 13.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0024 6.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0024 7.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0787 8.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5570 7.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5138 7.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9921 8.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5138 8.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5570 8.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9921 9.6743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9487 8.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9921 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2939 10.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4468 10.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2939 9.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4468 12.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5415 12.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6362 12.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6362 10.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5415 10.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5415 13.5996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 12.5553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 10.4666 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 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 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 26 32 1 0 0 0 0 23 22 2 0 0 0 0 23 12 1 0 0 0 0 11 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 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 M END > LMPK12020100 > Catechin 3,7,-di-O-galate > (2R,3S)-3,5,7,3',4'-Pentahydroxyflavan 3,7,-di-O-gallate > C29H22O14 > 594.10 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > CGOZIOXIWGDPED-RPLLCQBOSA-N > InChI=1S/C29H22O14/c30-16-2-1-11(3-18(16)32)27-24(43-29(40)13-6-21(35)26(38)22(36)7-13)10-15-17(31)8-14(9-23(15)42-27)41-28(39)12-4-19(33)25(37)20(34)5-12/h1-9,24,27,30-38H,10H2/t24-,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](OC(=O)C3C=C(O)C(O)=C(O)C=3)CC2=C(O)C=1 > - > - > - > - > - > - > 14583619 > - > - > - > - > - > 33090; 875634 > - $$$$