Mrv2104 05272302372D 20 21 0 0 0 0 999 V2000 2.3135 3.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1733 2.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3991 2.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2349 1.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6075 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8393 -0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0015 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8393 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3773 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 1.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9366 0.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6156 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 0.5553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5815 2.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7216 3.1884 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2155 1.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 4 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 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 5 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 6 13 1 0 0 0 0 8 14 1 0 0 0 0 6 15 1 0 0 0 0 5 16 1 0 0 0 0 2 17 2 0 0 0 0 17 18 1 4 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 M CHG 1 19 -1 M END > NP0339893 > NP-MRD > CC(C=CC1(O)C2(C)COC1(C)CC(O)C2)=CC([O-])=O > InChI=1/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/p-1 > XIVFQYWMMJWUCD-UHFFFAOYNA-M > C15H21O5 > 281.329 > 281.139447356 > 5 > 41 > 29.459197758545393 > 1 > 2 > -1 > 1 > 5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoate > 0.5024939413333337 > 0 > 2 > -1 > 12.891974586703185 > 4.33630578136569 > -2.7397165799455063 > 89.82 > 85.841 > 3 > 1 > 5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoate > 0 > NP0339893 > dihydroxyphaseic acid $$$$