Mrv1652304282211452D 27 28 0 0 1 0 999 V2000 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 1.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4938 1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1953 0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9054 0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8968 -0.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6069 -0.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1694 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8795 -2.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1521 -3.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -3.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5025 2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 5 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 4 11 1 0 0 0 0 10 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 14 26 1 0 0 0 0 10 27 1 6 0 0 0 M END > NP0065544 > NP-MRD > CC(C)=CCC\C(C)=C/CC\C(C)=C\C[C@]1(O)OC2=CC=CC(C)=C2C1=O > InChI=1S/C24H32O3/c1-17(2)9-6-10-18(3)11-7-12-19(4)15-16-24(26)23(25)22-20(5)13-8-14-21(22)27-24/h8-9,11,13-15,26H,6-7,10,12,16H2,1-5H3/b18-11-,19-15+/t24-/m0/s1 > DATDTYFNUQUNEY-YAUMEIILSA-N > C24H32O3 > 368.517 > 368.23514489 > 3 > 59 > 43.596184395823805 > 1 > 1 > 0 > 0 > (2S)-2-hydroxy-4-methyl-2-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2,3-dihydro-1-benzofuran-3-one > 5.30 > 6.503068323333334 > -5.29 > 0 > 2 > 0 > 9.973079797736768 > -4.997574896469939 > 46.53 > 114.2826 > 8 > 0 > 1.87e-03 g/l > (2S)-2-hydroxy-4-methyl-2-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1-benzofuran-3-one > 0 > NP0065544 > 5-Methyl-3-farnesyl-3-hydroxycoumarane $$$$