Mrv1533004171501402D 14 15 0 0 0 0 999 V2000 0.8838 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 -1.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0186187 > NP-MRD > CC1=C2C(=O)OCCC2(O)C(O)C1O > InChI=1S/C9H12O5/c1-4-5-8(12)14-3-2-9(5,13)7(11)6(4)10/h6-7,10-11,13H,2-3H2,1H3 > FFVCONHJAWBWCX-UHFFFAOYSA-N > C9H12O5 > 200.19 > 200.068473486 > 4 > 26 > 18.812160945449406 > 1 > 3 > 0 > 0 > 4a,5,6-trihydroxy-7-methyl-1H,3H,4H,4aH,5H,6H-cyclopenta[c]pyran-1-one > -1.20 > -1.4939431116666664 > 0.37 > 0 > 2 > 0 > 13.580521664155906 > 12.500815920251846 > -3.4835277004057543 > 86.99000000000001 > 46.0424 > 0 > 1 > 4.67e+02 g/l > 4a,5,6-trihydroxy-7-methyl-3H,4H,5H,6H-cyclopenta[c]pyran-1-one > 0 > NP0186187 > 4a,5,6-trihydroxy-7-methyl-3h,4h,5h,6h-cyclopenta[c]pyran-1-one $$$$