Mrv1909 05231922442D 25 27 0 0 0 0 999 V2000 2.1433 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4287 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4287 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 1.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1432 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.0310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 0.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 11 5 1 0 0 0 0 6 5 2 0 0 0 0 6 13 1 0 0 0 0 11 7 2 0 0 0 0 13 14 1 0 0 0 0 14 7 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 6 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 14 15 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 8 17 1 0 0 0 0 20 16 1 0 0 0 0 10 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 9 24 1 1 0 0 0 2 25 1 0 0 0 0 M END > DBMET00046 > drugbank > [H][C@@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC(O)=C2 > InChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3/t14-/m1/s1 > IQWPEJBUOJQPDE-CQSZACIVSA-N > C19H16O5 > 324.332 > 324.099773615 > 4 > 40 > 32.99246774747587 > 1 > 2 > 0 > 1 > 4,6-dihydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-2H-chromen-2-one > 2.88 > 2.441142040666666 > -4.04 > 0 > 3 > -1 > 9.892018184586885 > 5.3065864685328465 > -5.946056621858487 > 83.83 > 88.84100000000001 > 4 > 1 > 2.93e-02 g/l > (S,S)-warfarin alcohol > 0 > DBMET00046 > R-6-Hydroxywarfarin > 3H8AEG6204 $$$$