Mol:FL2FAANI0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -1.5831 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5414 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5414 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0205 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5004 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5004 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0205 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0205 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5551 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0895 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0895 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5551 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5774 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1035 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1035 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1035 -0.6467 0.0000 O 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 2 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 21 23 2 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 21 29 1 0 0 0 0 6 30 1 0 0 0 0 S SKP 8 ID FL2FAANI0018 KNApSAcK_ID C00008522 NAME Leachianone E CAS_RN 139542-47-5 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(c(O)3)c(O)c(c2c3CC(C(C)=C)CC=C(C)C)C(=O)CC(O2)c(c1)ccc(c1)O M END