Mrv1652306242117173D 25 26 0 0 0 0 999 V2000 4.2746 0.2520 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8876 0.3337 -0.0976 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 -0.7018 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7476 0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 -0.5904 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 0.5257 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3148 0.7981 -0.8179 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7681 1.9030 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 -0.3833 -0.8036 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5063 -0.0236 -0.3985 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7174 -1.5408 0.0080 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2812 -1.3737 1.3017 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 -1.6840 0.2904 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6431 1.3134 0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7851 -0.1423 -0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 -0.3121 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 1.3349 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3499 1.2735 -1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8714 2.5060 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4284 2.6336 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2621 1.5213 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3351 -0.7641 -1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5821 0.0290 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 -2.4715 -0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -2.6888 0.3243 H 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 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 5 1 0 0 0 0 13 11 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 6 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 6 0 0 0 10 23 1 0 0 0 0 11 24 1 1 0 0 0 13 25 1 1 0 0 0 M END > NP0015234 > NP-MRD > [H]O[C@]1([H])[C@]2([H])O[C@]2([H])C(=C([H])[C@]1([H])C([H])([H])[H])C(=O)OC([H])([H])[H] > InChI=1S/C9H12O4/c1-4-3-5(9(11)12-2)7-8(13-7)6(4)10/h3-4,6-8,10H,1-2H3/t4-,6-,7+,8-/m0/s1 > VDMFGMHZOQLODC-JPCMASIJSA-N > C9H12O4 > 184.191 > 184.073558866 > 3 > 25 > 18.249881945703635 > 1 > 1 > 0 > 1 > methyl (1R,4S,5S,6S)-5-hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-2-ene-2-carboxylate > -0.13 > 0.2658297110000004 > -0.27 > 0 > 2 > 0 > 13.807689801802624 > -3.320316480691531 > 59.06 > 44.690900000000006 > 2 > 1 > 9.99e+01 g/l > methyl (1R,4S,5S,6S)-5-hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-2-ene-2-carboxylate > 0 > NP0015234 > Pericoxide $$$$