Mol:FL2FALNP0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -0.3232 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 -0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3232 0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 -0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2807 0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 -1.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3494 0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3494 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2807 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 -1.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 -0.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8829 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3232 1.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1943 1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4576 0.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8443 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 -1.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8636 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3733 -1.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8829 -0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3733 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8443 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3346 0.1246 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 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 17 19 1 0 0 0 0 13 20 1 0 0 0 0 15 21 1 0 0 0 0 6 22 1 0 0 0 0 5 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 22 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 1 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 29 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 S SKP 8 ID FL2FALNP0018 KNApSAcK_ID C00008538 NAME Exiguaflavanone I CAS_RN 156281-19-5 FORMULA C30H34O7 EXACTMASS 506.230453442 AVERAGEMASS 506.58676 SMILES C(C)(C)=CCC(C(C)=C)Cc(c21)c(c(C3=O)c(OC(c(c(O)4)c(O)cc(O)c4)C3)c(C=CC(O2)(C)C)1)O M END