Mrv1652309072202142D 14 15 0 0 0 0 999 V2000 4.2868 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.8875 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 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 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 13 14 1 0 0 0 0 M END > NP0240418 > NP-MRD > CC(C)=CCC1=CC(=O)C2OC2C1O > InChI=1S/C11H14O3/c1-6(2)3-4-7-5-8(12)10-11(14-10)9(7)13/h3,5,9-11,13H,4H2,1-2H3 > OHYNBGCNIXZIRF-UHFFFAOYSA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 20.55730999212485 > 1 > 1 > 0 > 1 > 5-hydroxy-4-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one > 1.2412625336666663 > 0 > 2 > 0 > 17.87990042785117 > 13.443189044574037 > -3.4749529425289136 > 49.83 > 53.3754 > 2 > 1 > 5-hydroxy-4-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one > 0 > NP0240418 > 5-hydroxy-4-(3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one $$$$