Mrv1652304292205322D 27 28 0 0 1 0 999 V2000 5.5249 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1872 1.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5336 0.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7517 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2598 0.5168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7377 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4745 1.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6658 2.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4027 2.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9483 3.5350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7683 4.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 4.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 5.5815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0972 4.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7696 3.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 -0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2598 -1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9742 -0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6887 -1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4032 -0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1177 -1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8321 -0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 0.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8311 0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8484 -0.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 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 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 5 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 5 24 1 6 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M END > NP0082497 > NP-MRD > CCCCC\C=C/C[C@]1(OC(C)=O)C=CC(=O)\C1=C\C=C/[C@@H]1CCC(=O)O1 > InChI=1S/C22H28O5/c1-3-4-5-6-7-8-15-22(27-17(2)23)16-14-20(24)19(22)11-9-10-18-12-13-21(25)26-18/h7-11,14,16,18H,3-6,12-13,15H2,1-2H3/b8-7-,10-9-,19-11-/t18-,22+/m1/s1 > HSBZTFDKHKMFDC-VDMXSLIGSA-N > C22H28O5 > 372.461 > 372.193674002 > 3 > 55 > 41.564319837764884 > 1 > 0 > 0 > 1 > (1S,5E)-1-[(2Z)-oct-2-en-1-yl]-4-oxo-5-[(2Z)-3-[(2S)-5-oxooxolan-2-yl]prop-2-en-1-ylidene]cyclopent-2-en-1-yl acetate > 4.38 > 4.328542894333333 > -5.22 > 0 > 2 > 0 > -6.671955392919468 > 69.67000000000002 > 106.9992 > 10 > 1 > 2.22e-03 g/l > (1S,5E)-1-[(2Z)-oct-2-en-1-yl]-4-oxo-5-[(2Z)-3-[(2S)-5-oxooxolan-2-yl]prop-2-en-1-ylidene]cyclopent-2-en-1-yl acetate > 0 > NP0082497 > (-)-Clavulolactone I $$$$