Mrv1652309122216392D 16 17 0 0 0 0 999 V2000 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 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 -0.7145 -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 -1.4289 -1.6500 0.0000 O 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 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 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 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 O 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 2 1 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 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 8 16 1 0 0 0 0 M END > NP0329857 > NP-MRD > COC1=CC(O)=CC2=C1C(=O)OC(CO)C2 > InChI=1S/C11H12O5/c1-15-9-4-7(13)2-6-3-8(5-12)16-11(14)10(6)9/h2,4,8,12-13H,3,5H2,1H3 > VAKHZMSIZBDNJR-UHFFFAOYSA-N > C11H12O5 > 224.212 > 224.068473486 > 4 > 28 > 22.034006660082653 > 1 > 2 > 0 > 1 > 6-hydroxy-3-(hydroxymethyl)-8-methoxy-3,4-dihydro-1H-2-benzopyran-1-one > 0.725039757 > 0 > 2 > 0 > 14.641326916348575 > 8.472662333402837 > -2.9556848992722475 > 75.99000000000001 > 55.79950000000001 > 2 > 1 > 6-hydroxy-3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2-benzopyran-1-one > 0 > NP0329857 > 6-hydroxy-3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2-benzopyran-1-one $$$$