Mrv1652304282222512D 14 15 0 0 1 0 999 V2000 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 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 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6378 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 3.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5314 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 0.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 6 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 1 0 0 0 M END > NP0075593 > NP-MRD > C[C@]1(O)CC[C@@H]2[C@@H]1COC(=O)[C@@H]2CO > 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/t6-,7+,8-,10-/m0/s1 > ZYYAVDNIJGWUML-ODHVRURNSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.50707854819987 > 1 > 2 > 0 > 0 > (4S,4aR,7S,7aR)-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 > 49.2862 > 1 > 1 > 1.29e+02 g/l > (4S,4aR,7S,7aR)-7-hydroxy-4-(hydroxymethyl)-7-methyl-hexahydrocyclopenta[c]pyran-3-one > 0 > NP0075593 > Mussaenin A $$$$