Mol:FL3FACNR0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 33 0 0 0 0 0 0 0 0999 V2000 | + | 29 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1816 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1816 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1816 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1816 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6253 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6253 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0690 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0690 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0690 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0690 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6253 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6253 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4873 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4873 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0436 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0436 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0436 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0436 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4873 0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4873 0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4873 -1.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4873 -1.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5997 0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5997 0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1667 0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1667 0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7337 0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7337 0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7337 0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7337 0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1667 1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1667 1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5997 0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5997 0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3005 1.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3005 1.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7925 0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7925 0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1701 -0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1701 -0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7925 -0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7925 -0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7810 -0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7810 -0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7810 -1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7810 -1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1701 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1701 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3005 -1.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3005 -1.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9716 -1.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9716 -1.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6253 -1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6253 -1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1667 1.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1667 1.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3005 -0.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3005 -0.1354 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 22 29 2 0 0 0 0 | + | 22 29 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACNR0001 | + | ID FL3FACNR0001 |
| − | KNApSAcK_ID C00004095 | + | KNApSAcK_ID C00004095 |
| − | NAME Demethyltorosaflavone C;cis-(+-)-2-(3,4-Dihydroxyphenyl)-5b,8a-dihydro-5,7-dihydroxy-6-methyl-4H,8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione | + | NAME Demethyltorosaflavone C;cis-(+-)-2-(3,4-Dihydroxyphenyl)-5b,8a-dihydro-5,7-dihydroxy-6-methyl-4H,8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione |
| − | CAS_RN 145194-15-6 | + | CAS_RN 145194-15-6 |
| − | FORMULA C21H14O8 | + | FORMULA C21H14O8 |
| − | EXACTMASS 394.068867424 | + | EXACTMASS 394.068867424 |
| − | AVERAGEMASS 394.33106 | + | AVERAGEMASS 394.33106 |
| − | SMILES c(c5)c(cc(c(O)5)O)C(=C4)Oc(c(C(=O)4)1)cc(O3)c(C(C32)C(=C(C2=O)O)C)c1O | + | SMILES c(c5)c(cc(c(O)5)O)C(=C4)Oc(c(C(=O)4)1)cc(O3)c(C(C32)C(=C(C2=O)O)C)c1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-1.1816 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1816 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6253 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0690 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0690 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6253 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4873 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0436 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0436 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4873 0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4873 -1.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1667 0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7337 0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7337 0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1667 1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3005 1.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7925 0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1701 -0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7925 -0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7810 -0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7810 -1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1701 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3005 -1.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9716 -1.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6253 -1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1667 1.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3005 -0.1354 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
15 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 2 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 21 1 0 0 0 0
23 25 1 0 0 0 0
24 26 1 0 0 0 0
3 27 1 0 0 0 0
16 28 1 0 0 0 0
22 29 2 0 0 0 0
S SKP 8
ID FL3FACNR0001
KNApSAcK_ID C00004095
NAME Demethyltorosaflavone C;cis-(+-)-2-(3,4-Dihydroxyphenyl)-5b,8a-dihydro-5,7-dihydroxy-6-methyl-4H,8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione
CAS_RN 145194-15-6
FORMULA C21H14O8
EXACTMASS 394.068867424
AVERAGEMASS 394.33106
SMILES c(c5)c(cc(c(O)5)O)C(=C4)Oc(c(C(=O)4)1)cc(O3)c(C(C32)C(=C(C2=O)O)C)c1O
M END
