Mrv1652309112205142D 14 15 0 0 1 0 999 V2000 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 2 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 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 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 2.1434 -0.4125 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 2.8579 0.8250 0.0000 O 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 3.5724 -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 1 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 2.1434 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 7 1 1 0 0 0 2 14 1 0 0 0 0 M END > NP0309003 > NP-MRD > C[C@@H]1C[C@@H](O)C=C2[C@H]1[C@H](O)C=CC2=O > InChI=1S/C11H14O3/c1-6-4-7(12)5-8-9(13)2-3-10(14)11(6)8/h2-3,5-7,10-12,14H,4H2,1H3/t6-,7-,10-,11+/m1/s1 > UYGYXBOUYJLANA-CCXSFMJYSA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 20.016155035877112 > 1 > 2 > 0 > 1 > (4R,4aS,5R,7R)-4,7-dihydroxy-5-methyl-1,4,4a,5,6,7-hexahydronaphthalen-1-one > 0.49517294933333367 > 0 > 2 > 0 > 14.978946756434173 > 14.293685575731715 > -2.8744445030129935 > 57.53 > 54.24209999999999 > 0 > 1 > (4R,4aS,5R,7R)-4,7-dihydroxy-5-methyl-4a,5,6,7-tetrahydro-4H-naphthalen-1-one > 0 > NP0309003 > (4r,4as,5r,7r)-4,7-dihydroxy-5-methyl-4a,5,6,7-tetrahydro-4h-naphthalen-1-one $$$$