KEGG:C09743 Valerenic acid ISISHOST03240423232D 1 1.00000 0.00000 8785 18 19 0 1 0 999 V2000 5.0456 -12.3755 0.0000 C 0 0 1 0 0 0 0 0 0 5.7568 -11.9699 0.0000 C 0 0 0 0 0 0 0 0 0 5.0456 -13.2047 0.0000 C 0 0 0 0 0 0 0 0 0 5.0456 -10.7276 0.0000 C 0 0 1 0 0 0 0 0 0 5.7568 -11.1408 0.0000 C 0 0 0 0 0 0 0 0 0 5.7568 -13.6111 0.0000 C 0 0 0 0 0 0 0 0 0 5.0456 -9.9018 0.0000 C 0 0 0 0 0 0 0 0 0 6.4714 -13.1978 0.0000 C 0 0 0 0 0 0 0 0 0 5.7602 -14.4367 0.0000 C 0 0 0 0 0 0 0 0 0 6.4680 -12.3686 0.0000 O 0 0 0 0 0 0 0 0 0 7.1861 -13.6077 0.0000 O 0 0 0 0 0 0 0 0 0 4.3240 -10.3151 0.0000 H 0 0 0 0 0 0 0 0 0 4.3281 -11.9661 0.0000 C 0 0 0 0 0 0 0 0 0 4.3309 -11.1408 0.0000 C 0 0 2 0 0 0 0 0 0 3.5453 -10.8796 0.0000 C 0 0 0 0 0 0 0 0 0 3.0585 -11.5471 0.0000 C 0 0 0 0 0 0 0 0 0 3.5409 -12.2179 0.0000 C 0 0 0 0 0 0 0 0 0 3.2749 -13.0308 0.0000 C 0 0 0 0 0 0 0 0 0 3 6 2 0 0 0 4 7 1 6 0 0 6 8 1 0 0 0 6 9 1 0 0 0 8 10 1 0 0 0 8 11 2 0 0 0 4 5 1 0 0 0 14 12 1 1 0 0 13 1 1 0 0 0 1 2 1 0 0 0 1 3 1 1 0 0 14 4 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 13 2 0 0 0 2 5 1 0 0 0 17 18 1 0 0 0 M END