Mrv1652306202100043D 26 27 0 0 0 0 999 V2000 0.4374 -0.4748 4.2593 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0813 0.1608 3.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7436 1.2729 2.8741 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3309 2.1061 1.7691 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3749 1.3288 0.6745 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5355 0.6032 1.3200 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0397 -0.2672 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7077 -1.4343 2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 -2.5643 3.4317 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9205 -2.9141 3.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 -1.5246 1.3447 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0047 -1.2640 1.8404 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2513 -0.3887 0.3987 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3676 0.2310 -0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3047 2.9027 2.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 2.5773 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3246 0.6133 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7211 2.0020 -0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2478 1.3385 1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1394 -3.4341 2.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0312 -2.3173 4.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8195 -3.5167 4.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6823 -2.4913 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0877 -1.8318 2.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5742 -0.7734 -0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1307 0.0308 0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 6 13 1 0 0 0 0 13 11 1 0 0 0 0 11 8 1 0 0 0 0 8 7 2 0 0 0 0 4 5 1 0 0 0 0 2 1 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 5 1 0 0 0 0 6 19 1 1 0 0 0 7 2 1 0 0 0 0 13 14 1 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 13 25 1 6 0 0 0 11 23 1 6 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 14 26 1 0 0 0 0 12 24 1 0 0 0 0 M END > NP0030808 > NP-MRD > [H]OC([H])([H])C1=C2C(=O)OC([H])([H])C([H])([H])[C@@]2([H])[C@]([H])(O[H])[C@]1([H])O[H] > InChI=1S/C9H12O5/c10-3-5-6-4(7(11)8(5)12)1-2-14-9(6)13/h4,7-8,10-12H,1-3H2/t4-,7+,8-/m1/s1 > ZTORISRLTYWNKJ-BTZDVCGTSA-N > C9H12O5 > 200.19 > 200.068473486 > 4 > 26 > 18.921914740312953 > 1 > 3 > 0 > 0 > (4aR,5S,6R)-5,6-dihydroxy-7-(hydroxymethyl)-1H,3H,4H,4aH,5H,6H-cyclopenta[c]pyran-1-one > -1.43 > -1.7764816873333333 > 0.06 > 0 > 2 > 0 > 14.608347817199334 > 13.286541595412583 > -2.7983622647861175 > 86.99000000000001 > 46.563599999999994 > 1 > 1 > 2.30e+02 g/l > (4aR,5S,6R)-5,6-dihydroxy-7-(hydroxymethyl)-3H,4H,4aH,5H,6H-cyclopenta[c]pyran-1-one > 0 > NP0030808 > 7-hydroxyviteoid II $$$$