Mrv1533004241516082D 14 15 0 0 0 0 999 V2000 0.4243 -1.7779 0.0000 C 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 1.4743 -2.1191 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 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 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 O 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 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 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 7 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 2 14 1 0 0 0 0 6 14 1 0 0 0 0 M END > NP0221119 > NP-MRD > CC1(O)CCC2C1COC(=O)C2CO > InChI=1S/C10H16O4/c1-10(13)3-2-6-7(4-11)9(12)14-5-8(6)10/h6-8,11,13H,2-5H2,1H3 > ZYYAVDNIJGWUML-UHFFFAOYSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.423176951665045 > 1 > 2 > 0 > 0 > 7-hydroxy-4-(hydroxymethyl)-7-methyl-octahydrocyclopenta[c]pyran-3-one > -0.20 > -0.5754153543333329 > -0.19 > 0 > 2 > 0 > 15.33891597739839 > 14.591021474620181 > -2.7010589514297063 > 66.76 > 49.28620000000001 > 1 > 1 > 1.29e+02 g/l > 7-hydroxy-4-(hydroxymethyl)-7-methyl-hexahydrocyclopenta[c]pyran-3-one > 0 > NP0221119 > 7-hydroxy-4-(hydroxymethyl)-7-methyl-hexahydrocyclopenta[c]pyran-3-one $$$$