Mrv0541 05061310352D 25 27 0 0 0 0 999 V2000 2.2871 4.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 3.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 -0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 3.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 -0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5438 0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5726 2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 -0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 0.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 -0.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8746 -0.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5726 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0304 0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 1.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 -1.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8554 0.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 1.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 -1.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 10 2 1 0 0 0 0 10 6 2 0 0 0 0 11 3 1 0 0 0 0 11 7 2 0 0 0 0 12 4 2 0 0 0 0 13 9 1 0 0 0 0 13 12 1 0 0 0 0 14 8 2 0 0 0 0 15 9 1 0 0 0 0 16 11 1 0 0 0 0 16 14 1 0 0 0 0 17 13 1 0 0 0 0 17 16 1 0 0 0 0 18 10 1 0 0 0 0 19 12 1 0 0 0 0 20 5 1 0 0 0 0 20 14 1 0 0 0 0 20 15 1 0 0 0 0 21 18 2 0 0 0 0 22 19 2 0 0 0 0 23 20 1 0 0 0 0 24 15 1 0 0 0 0 24 18 1 0 0 0 0 25 17 1 0 0 0 0 25 19 1 0 0 0 0 M END > HMDB0038690 > hmdb > C\C=C(/C)C(=O)OC1CC2C(OC(=O)C2=C)C2C(C)=CC=C2C1(C)O > InChI=1S/C20H24O5/c1-6-10(2)18(21)24-15-9-13-12(4)19(22)25-17(13)16-11(3)7-8-14(16)20(15,5)23/h6-8,13,15-17,23H,4,9H2,1-3,5H3/b10-6+ > ITEVGBFEXWVGSM-UXBLZVDNSA-N > C20H24O5 > 344.4016 > 344.162373878 > 3 > 37.09329907183744 > 1 > 1 > 0 > 1 > 6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,9aH,9bH-azuleno[4,5-b]furan-5-yl (2E)-2-methylbut-2-enoate > 2.88 > 2.860168009333333 > -3.25 > 0 > 3 > 0 > 14.767658497249954 > 13.380405960931327 > -3.4848499412079237 > 72.83000000000001 > 94.91279999999999 > 3 > 1 > 1.96e-01 g/l > 6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-5-yl (2E)-2-methylbut-2-enoate > 0 > HMDB0038690 > Isoachifolidiene > Isoachifolidiene $$$$