Mrv0541 04121521172D 14 15 0 0 0 0 999 V2000 -0.3984 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -2.7604 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 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 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 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0285694 > NP-MRD > CC1C(O)CC2C1COC(=O)C2CO > InChI=1S/C10H16O4/c1-5-8-4-14-10(13)7(3-11)6(8)2-9(5)12/h5-9,11-12H,2-4H2,1H3 > DYRWCEDTDIXFOD-UHFFFAOYSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.66278464336233 > 1 > 2 > 0 > 0 > 6-hydroxy-4-(hydroxymethyl)-7-methyl-octahydrocyclopenta[c]pyran-3-one > -0.10 > -0.5325759233333336 > -0.22 > 0 > 2 > 0 > 15.404127602476276 > 14.754987475299295 > -2.7010577677981376 > 66.76 > 49.21840000000001 > 1 > 1 > 1.21e+02 g/l > 6-hydroxy-4-(hydroxymethyl)-7-methyl-hexahydro-1H-cyclopenta[c]pyran-3-one > 0 > NP0285694 > 6-hydroxy-4-(hydroxymethyl)-7-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one $$$$