Mrv0541 02241223362D 16 17 0 0 0 0 999 V2000 -2.1842 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 -1.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -0.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6892 -0.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2057 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2886 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0307 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 1.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 1.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2057 1.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 2.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 -0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2671 0.0008 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M END > FDB003990 > foodb > CCCCC1OC(=O)C2=C1CCC(O)C2O > InChI=1S/C12H18O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h8-9,11,13-14H,2-6H2,1H3 > AXRIHSJZHOTGAE-UHFFFAOYSA-N > C12H18O4 > 226.2689 > 226.120509064 > 3 > 24.34020313313633 > 1 > 2 > 0 > 1 > 3-butyl-6,7-dihydroxy-1,3,4,5,6,7-hexahydro-2-benzofuran-1-one > 0.94 > 1.1234588526666667 > -1.03 > 0 > 2 > 0 > 14.851799646326477 > 13.24330294469761 > -3.1881703861937263 > 66.76 > 58.3081 > 3 > 1 > 2.10e+01 g/l > 3-butyl-6,7-dihydroxy-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one > 0 > FDB003990 > Senkyunolide N $$$$