Mrv1533004201503472D 14 15 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 0.7145 -0.4125 0.0000 C 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 -0.7846 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0945 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7846 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4991 1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 1.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 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 2.1434 -0.4125 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 2 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > NP0231703 > NP-MRD > CC1C2CC(O)C(C)(O)C2OCC1=O > InChI=1S/C10H16O4/c1-5-6-3-8(12)10(2,13)9(6)14-4-7(5)11/h5-6,8-9,12-13H,3-4H2,1-2H3 > AKSVFQUZZNWLCZ-UHFFFAOYSA-N > C10H16O4 > 200.234 > 200.104858995 > 4 > 30 > 20.518086605224486 > 1 > 2 > 0 > 1 > 6,7-dihydroxy-4,7-dimethyl-octahydrocyclopenta[b]pyran-3-one > -0.76 > -0.32673869399999916 > 0.16 > 0 > 2 > 0 > 14.762094841058495 > 13.047269090889628 > -3.2727148632551994 > 66.75999999999999 > 49.0914 > 0 > 1 > 2.91e+02 g/l > 6,7-dihydroxy-4,7-dimethyl-hexahydrocyclopenta[b]pyran-3-one > 0 > NP0231703 > 6,7-dihydroxy-4,7-dimethyl-hexahydrocyclopenta[b]pyran-3-one $$$$