Mol:FLIAALNI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -2.3409 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2242 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0068 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0068 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 1.9774 0.0000 C 0 0 0 0 0 0 0 0 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 16 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 1.3323 1.0861 S SKP 8 ID FLIAALNI0008 KNApSAcK_ID C00009839 NAME 2'-Methoxylupalbigenin;5,7,4'-Trihydroxy-2'-methoxy-6,3'-diprenylisoflavone CAS_RN 89143-44-2 FORMULA C26H28O6 EXACTMASS 436.188588628 AVERAGEMASS 436.49692 SMILES Oc(c3CC=C(C)C)ccc(c3OC)C(=C2)C(=O)c(c(O)1)c(O2)cc(c(CC=C(C)C)1)O M END