Mol:FL3FALNR0009
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
− | -1.6514 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6514 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6514 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6514 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0951 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0951 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5388 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5388 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5388 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5388 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0951 0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0951 0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0175 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0175 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5738 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5738 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5738 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5738 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0175 0.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0175 0.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0175 -1.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0175 -1.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1299 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1299 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6969 -0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6969 -0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2638 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2638 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2638 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2638 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6969 1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6969 1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1299 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1299 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0951 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0951 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0951 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0951 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6514 1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6514 1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2077 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2077 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2077 0.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2077 0.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8306 0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8306 0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6031 1.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6031 1.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8046 1.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8046 1.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6969 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6969 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2637 -0.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2637 -0.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1299 -0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1299 -0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8293 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8293 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2637 -1.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2637 -1.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8306 -0.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8306 -0.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5631 1.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5631 1.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
− | 25 15 1 0 0 0 0 | + | 25 15 1 0 0 0 0 |
− | 13 26 1 0 0 0 0 | + | 13 26 1 0 0 0 0 |
− | 26 27 1 6 0 0 0 | + | 26 27 1 6 0 0 0 |
− | 8 28 1 0 0 0 0 | + | 8 28 1 0 0 0 0 |
− | 28 26 1 0 0 0 0 | + | 28 26 1 0 0 0 0 |
− | 27 29 2 0 0 0 0 | + | 27 29 2 0 0 0 0 |
− | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
− | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
− | 17 32 1 0 0 0 0 | + | 17 32 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FALNR0009 | + | ID FL3FALNR0009 |
− | KNApSAcK_ID C00004104 | + | KNApSAcK_ID C00004104 |
− | NAME Artobiloxanthone;8,9-Dihydro-6,10,11,13-tetrahydroxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthen-7-one | + | NAME Artobiloxanthone;8,9-Dihydro-6,10,11,13-tetrahydroxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthen-7-one |
− | CAS_RN 121748-25-2 | + | CAS_RN 121748-25-2 |
− | FORMULA C25H22O7 | + | FORMULA C25H22O7 |
− | EXACTMASS 434.136553058 | + | EXACTMASS 434.136553058 |
− | AVERAGEMASS 434.43798000000004 | + | AVERAGEMASS 434.43798000000004 |
− | SMILES C(=C1)c(c52)c(cc(O)c2C(C(=C(O5)3)CC(C(C)=C)c(c(O)4)c(c(O)cc4O)3)=O)OC1(C)C | + | SMILES C(=C1)c(c52)c(cc(O)c2C(C(=C(O5)3)CC(C(C)=C)c(c(O)4)c(c(O)cc4O)3)=O)OC1(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -1.6514 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6514 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0175 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5738 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5738 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0175 0.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0175 -1.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1299 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 -0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1299 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6514 1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2077 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2077 0.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6031 1.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8046 1.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2637 -0.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1299 -0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8293 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2637 -1.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 -0.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 1.2994 0.0000 O 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 25 15 1 0 0 0 0 13 26 1 0 0 0 0 26 27 1 6 0 0 0 8 28 1 0 0 0 0 28 26 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 14 31 1 0 0 0 0 17 32 1 0 0 0 0 S SKP 8 ID FL3FALNR0009 KNApSAcK_ID C00004104 NAME Artobiloxanthone;8,9-Dihydro-6,10,11,13-tetrahydroxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthen-7-one CAS_RN 121748-25-2 FORMULA C25H22O7 EXACTMASS 434.136553058 AVERAGEMASS 434.43798000000004 SMILES C(=C1)c(c52)c(cc(O)c2C(C(=C(O5)3)CC(C(C)=C)c(c(O)4)c(c(O)cc4O)3)=O)OC1(C)C M END