Mrv1652309122217152D 27 30 0 0 1 0 999 V2000 5.7774 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1274 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6425 1.0799 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 2.8579 0.0000 0.0000 C 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 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 O 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 0.0000 0.8250 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 -1.4289 0.8250 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 -2.1434 2.0625 0.0000 C 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 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 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 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 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 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 2 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 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 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 10 24 1 0 0 0 0 24 25 2 0 0 0 0 7 25 1 0 0 0 0 25 26 1 0 0 0 0 8 27 1 0 0 0 0 5 27 1 0 0 0 0 M END > NP0330172 > NP-MRD > CC(C)(O)[C@@H]1CC2=C(O1)C=C1OC=C(C(=O)C1=C2O)C1=CC=C(O)C=C1O > InChI=1S/C20H18O7/c1-20(2,25)16-6-11-14(27-16)7-15-17(18(11)23)19(24)12(8-26-15)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-23,25H,6H2,1-2H3/t16-/m0/s1 > MPYLJLHMKWTFTC-INIZCTEOSA-N > C20H18O7 > 370.357 > 370.10525292 > 7 > 45 > 37.88020502973147 > 1 > 4 > 0 > 1 > (2S)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,5H-furo[3,2-g]chromen-5-one > 3.0259063813333333 > 0 > 4 > 0 > 8.558766879640366 > 7.455260440753204 > -3.1064372190029097 > 116.45000000000002 > 96.47519999999999 > 2 > 1 > (2S)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2H,3H-furo[3,2-g]chromen-5-one > 0 > NP0330172 > (2s)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-5-one $$$$