Mrv1652309022211472D 14 15 0 0 1 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 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 1 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 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8825 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 -1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3556 -2.3479 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 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 1 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 1 1 0 0 0 10 12 1 6 0 0 0 10 13 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 6 0 0 0 M END > NP0153180 > NP-MRD > CC1C2CC[C@](C)(O)[C@H](O)[C@H]2OC1=O > InChI=1S/C10H16O4/c1-5-6-3-4-10(2,13)8(11)7(6)14-9(5)12/h5-8,11,13H,3-4H2,1-2H3/t5?,6?,7-,8+,10-/m0/s1 > HEPIMNSIVYQQNN-OTCQGAEESA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.479231617842842 > 1 > 2 > 0 > 1 > (6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-octahydro-1-benzofuran-2-one > 0.10 > 0.10822004666666668 > -0.07 > 0 > 2 > 0 > 14.836354410931825 > 12.995454781312795 > -3.244315299524702 > 66.76 > 48.457 > 0 > 1 > 1.71e+02 g/l > (6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-hexahydro-1-benzofuran-2-one > 0 > NP0153180 > (6s,7r,7as)-6,7-dihydroxy-3,6-dimethyl-hexahydro-1-benzofuran-2-one $$$$