Mol:FL3FALNP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -1.9649 0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9649 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4086 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8523 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8523 0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4086 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2603 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2603 0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -1.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4086 -1.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4086 1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9649 1.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5212 1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5212 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1441 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 -1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 -1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 -2.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -1.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 1.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1441 1.1231 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 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 8 25 1 0 0 0 0 13 26 1 0 0 0 0 26 25 1 0 0 0 0 25 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 15 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 36 M SMT 1 OCH3 M SBV 1 36 -7.4091 4.3829 S SKP 8 ID FL3FALNP0005 KNApSAcK_ID C00004055 NAME Cycloartomunin;6,12-Dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one CAS_RN 135023-19-7 FORMULA C26H24O7 EXACTMASS 448.152203122 AVERAGEMASS 448.46456 SMILES c(c15)c(OC)c(cc1C(=C4C(C=C(C)C)O5)Oc(c(C(=O)4)2)c(C=3)c(OC(C3)(C)C)cc2O)O M END