LMPK12020105 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 11.9508 8.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9508 7.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8094 7.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6682 7.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6682 8.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8094 9.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5268 7.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3855 7.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3855 8.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5268 9.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0926 9.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2003 7.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1502 9.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0187 8.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8872 9.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8872 10.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0187 10.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1502 10.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8094 6.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2343 8.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3761 9.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2343 7.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3761 10.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4948 10.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6137 10.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6137 9.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4948 8.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4948 12.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 10.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 8.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7550 10.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6208 10.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4866 10.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6208 9.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7409 8.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7409 7.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6208 7.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5004 7.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5004 8.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8619 7.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6208 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3797 7.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0187 11.9096 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 11 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 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 21 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 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 17 43 1 0 0 0 0 M END > LMPK12020105 > Catechin 7,4'-di-O-gallate > (2R,3S)-3,5,7,3',4'-Pentahydroxyflavan 7,4'-di-O-gallate > C29H22O14 > 594.10 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > DOWFCZXMYLDLMD-WXVAWEFUSA-N > InChI=1S/C29H22O14/c30-16-8-14(41-28(39)12-4-18(32)25(37)19(33)5-12)9-24-15(16)10-22(36)27(42-24)11-1-2-23(17(31)3-11)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(OC(C4C=C(O)C(O)=C(O)C=4)=O)=CC=3)[C@@H](O)CC2=C(O)C=1 > - > - > - > - > - > - > 44257108 > - > - > - > - > - > 33090; 875634 > - $$$$