Mol:FL1D1ANI0001
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 29 30 0 0 0 0 0 0 0 0999 V2000 | + | 29 30 0 0 0 0 0 0 0 0999 V2000 |
− | -1.2984 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2984 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2984 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2984 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8336 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8336 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3689 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3689 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3689 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3689 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8336 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8336 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8336 -1.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8336 -1.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0955 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0955 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5588 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5588 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0220 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0220 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4852 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4852 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9484 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9484 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4116 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4116 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4116 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4116 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9484 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9484 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4852 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4852 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0955 -1.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0955 -1.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6806 -0.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6806 -0.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7329 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7329 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1139 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1139 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4950 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4950 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8748 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8748 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4950 -1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4950 -1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8336 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8336 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2980 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2980 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2980 1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2980 1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7624 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7624 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8336 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8336 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8748 -0.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8748 -0.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
− | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 8 17 2 0 0 0 0 | + | 8 17 2 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
− | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1D1ANI0001 | + | ID FL1D1ANI0001 |
− | KNApSAcK_ID C00008002 | + | KNApSAcK_ID C00008002 |
− | NAME Gancaonin J | + | NAME Gancaonin J |
− | CAS_RN 129280-37-1 | + | CAS_RN 129280-37-1 |
− | FORMULA C25H30O4 | + | FORMULA C25H30O4 |
− | EXACTMASS 394.21440944799997 | + | EXACTMASS 394.21440944799997 |
− | AVERAGEMASS 394.50329999999997 | + | AVERAGEMASS 394.50329999999997 |
− | SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(CCc(c2)ccc(O)c2)=O)O | + | SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(CCc(c2)ccc(O)c2)=O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 29 30 0 0 0 0 0 0 0 0999 V2000 -1.2984 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 -1.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0955 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5588 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9484 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9484 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0955 -1.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6806 -0.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7329 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1139 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7624 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8748 -0.0029 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 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 8 17 2 0 0 0 0 1 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 2 19 1 0 0 0 0 6 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 14 29 1 0 0 0 0 S SKP 8 ID FL1D1ANI0001 KNApSAcK_ID C00008002 NAME Gancaonin J CAS_RN 129280-37-1 FORMULA C25H30O4 EXACTMASS 394.21440944799997 AVERAGEMASS 394.50329999999997 SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(CCc(c2)ccc(O)c2)=O)O M END