Mrv0541 02241221542D 35 38 0 0 0 0 999 V2000 3.1390 -1.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 0.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 -3.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2523 -2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2523 -1.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 -1.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 -2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 0.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 1.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 1.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2523 2.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7642 -2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9933 -2.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 -2.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6808 -1.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -1.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7642 -3.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9933 -2.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 -2.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6808 -2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 1.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 2.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 3.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6808 -3.2537 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 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 15 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 35 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 M END > HMDB0303788 > hmdb > COC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)C=C1OC1OC(CO)C(O)C(O)C1O > InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3 > AFCDXKGLUDDXCK-UHFFFAOYSA-N > C22H22O13 > 494.4023 > 494.10604079 > 13 > 46.93197883482215 > 0 > 8 > 0 > 0 > 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one > 0.59 > -0.26943989500000065 > -2.43 > 0 > 4 > 0 > 9.065531359289864 > 8.139232551970574 > -2.981092354981798 > 215.82999999999998 > 115.46979999999998 > 5 > 0 > 1.85e+00 g/l > 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one > 0 > HMDB0303788 > Patuletin 7-glucoside $$$$