LMPK12020099 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 10.7561 11.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7561 10.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6076 9.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4593 10.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4593 11.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6076 11.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3108 9.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1623 10.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1623 11.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3108 11.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9051 11.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9703 9.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9206 11.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7819 11.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6433 11.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6433 12.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7819 13.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9206 12.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5892 13.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6076 8.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7819 14.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7787 7.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7787 8.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8576 8.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3370 8.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2960 8.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7754 8.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2960 9.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3370 9.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7754 10.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7343 8.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7754 7.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8268 8.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7739 8.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3143 7.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2670 8.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2528 8.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7457 8.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2528 7.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2670 7.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7462 9.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 8.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7462 6.3606 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 6 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 20 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 > LMPK12020099 > Epicatechin 3,5-di-O-gallate > (2R,3R)-3,5,7,3',4'-Pentahydroxyflavan 3,5-di-O-gallate > C29H22O14 > 594.10 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > RHDJFGKNTUPFEZ-SHQCIBLASA-N > InChI=1S/C29H22O14/c30-14-8-22-15(23(9-14)42-28(39)12-4-18(33)25(37)19(34)5-12)10-24(27(41-22)11-1-2-16(31)17(32)3-11)43-29(40)13-6-20(35)26(38)21(36)7-13/h1-9,24,27,30-38H,10H2/t24-,27-/m1/s1 > C1(O)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(OC(=O)C2C=C(O)C(O)=C(O)C=2)C=1 > - > - > 187544 > - > - > - > 14284594 > - > - > - > - > - > 33090; 4442 > - $$$$