CDK 1030232203 25 26 0 0 0 0 0 0 0 0999 V2000 4.2870 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4290 -2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7126 0.0000 C 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 9 12 1 6 0 0 0 10 13 1 0 0 0 0 10 14 1 6 0 0 0 15 11 1 0 0 0 0 11 16 1 6 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 6 0 0 0 21 16 1 0 0 0 0 19 22 1 0 0 0 0 23 20 1 0 0 0 0 21 24 1 1 0 0 0 23 25 1 1 0 0 0 15 17 1 0 0 0 0 21 23 1 0 0 0 0 M END > CHEBI:224789 > Pannomycin > 2 > (2E,4E)-5-[(1R,2S,4aR,6S,7R,8aR)-7-hydroxy-1,3,6-trimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-4-methylpenta-2,4-dienoic acid > C22H32O3 > 344.495 > 344.23514 > 0 > O=C(O)/C=C/C(=C/[C@@]1([C@H](C(=C[C@@H]2[C@H]1C[C@@H](O)[C@H](C2)C)C)/C=C/C)C)/C > InChI=1S/C22H32O3/c1-6-7-18-15(3)10-17-11-16(4)20(23)12-19(17)22(18,5)13-14(2)8-9-21(24)25/h6-10,13,16-20,23H,11-12H2,1-5H3,(H,24,25)/b7-6+,9-8+,14-13+/t16-,17-,18-,19+,20+,22+/m0/s1 > FFRJHWIQULDGGE-CUYCTCHZSA-N $$$$