LMPK12020069 LIPID_MAPS_STRUCTURE_DATABASE 40 44 0 0 0 999 V2000 11.4179 9.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4179 10.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5111 11.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6041 10.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6041 9.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5111 9.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3248 9.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2318 9.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2318 10.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3248 11.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1386 11.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9922 10.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8458 11.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8458 12.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9922 12.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1386 12.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6972 11.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9922 13.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2366 9.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6562 12.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2366 8.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5096 7.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1009 7.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1009 6.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9221 6.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7432 6.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7432 7.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9221 8.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5111 8.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 6.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7024 6.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5887 7.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9699 8.9538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4822 9.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5317 8.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1092 7.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1248 7.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5681 7.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9906 8.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4337 9.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 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 1 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 2 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 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 11 1 0 0 0 0 4 17 1 0 0 0 0 18 15 1 0 0 0 0 8 19 1 6 0 0 0 14 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 6 29 1 0 0 0 0 34 40 1 0 0 0 39 33 1 0 0 0 33 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 1 0 0 35 29 1 1 0 0 36 30 1 6 0 0 37 31 1 1 0 0 38 32 1 6 0 0 M END > LMPK12020069 > Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate > (2R,3R)-3-(Benzoyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-5-yl beta-D-glucopyranoside > C28H28O12 > 556.16 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > BZAMUAIUOGNDPV-FITCNNEASA-N > InChI=1S/C28H28O12/c29-12-22-23(33)24(34)25(35)28(40-22)39-20-10-15(30)9-19-16(20)11-21(38-27(36)13-4-2-1-3-5-13)26(37-19)14-6-7-17(31)18(32)8-14/h1-10,21-26,28-35H,11-12H2/t21-,22-,23-,24+,25-,26-,28-/m1/s1 > C12C[C@@H](OC(C3C=CC=CC=3)=O)[C@@H](C3C=C(O)C(O)=CC=3)OC=1C=C(O)C=C2O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 10392940 > - > - > - > - > - > 33090; 85181 > 11170672 $$$$