Mrv1652304282201302D 32 35 0 0 1 0 999 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 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 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 3 18 1 0 0 0 0 2 19 1 0 0 0 0 20 19 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 20 25 1 0 0 0 0 24 26 1 6 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 23 29 1 1 0 0 0 22 30 1 6 0 0 0 21 31 1 1 0 0 0 1 32 1 0 0 0 0 M END > NP0052489 > NP-MRD > O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O > InChI=1S/C21H18O11/c22-9-6-11(8-4-2-1-3-5-8)30-12-7-10(23)18(14(24)13(9)12)31-21-17(27)15(25)16(26)19(32-21)20(28)29/h1-7,15-17,19,21,23-27H,(H,28,29)/t15-,16-,17+,19-,21+/m0/s1 > OJLSRRUAFRVUSN-BHWDSYMASA-N > C21H18O11 > 446.364 > 446.0849114 > 11 > 50 > 42.17064242817261 > 0 > 6 > 0 > 1 > (2S,3S,4S,5R,6S)-6-[(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > 1.29 > 0.7588955783333331 > -2.40 > 0 > 4 > -2 > 6.9623686360058965 > 2.5740032308709124 > -3.686829199973614 > 183.20999999999998 > 104.92569999999999 > 4 > 0 > 1.79e+00 g/l > (2S,3S,4S,5R,6S)-6-[(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > 0 > NP0052489 > Baicalein 6-glucuronide $$$$