Mol:FL1C1ANI0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 2.8927 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8927 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0053 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0053 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7595 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2034 -0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6424 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2034 -1.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6424 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0898 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4628 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4628 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0898 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0898 -1.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 0.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0155 0.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0155 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 1.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1679 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7669 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3658 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9636 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5614 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9636 1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 2 0 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 2 0 0 0 0 16 10 1 0 0 0 0 16 17 1 0 0 0 0 5 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 15 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL1C1ANI0018 KNApSAcK_ID C00007126 NAME Lespeol CAS_RN 74174-28-0 FORMULA C25H26O4 EXACTMASS 390.18310931999997 AVERAGEMASS 390.47153999999995 SMILES Oc(c3)ccc(c3)C=CC(c(c2)c(c(c(c2)1)C=CC(CCC=C(C)C)(O1)C)O)=O M END