Mol:FL5FGCNS0029
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
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| − | -0.9953 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9953 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.4276 -0.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4276 -0.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.8606 0.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8606 0.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1492 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1492 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.4229 0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4229 0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4302 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4302 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7221 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7221 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5716 0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5716 0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5687 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5687 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8564 2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8564 2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1473 1.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1473 1.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7221 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7221 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2931 -1.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2931 -1.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1421 -0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1421 -0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1374 0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1374 0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1447 -0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1447 -0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.3691 0.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3691 0.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8592 1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8592 1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3691 1.9094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3691 1.9094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8592 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8592 -0.4097 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 21 11 1 0 0 0 0 | + | 21 11 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 9 24 1 0 0 0 0 | + | 9 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 13 26 1 0 0 0 0 | + | 13 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 14 1 0 0 0 0 | + | 28 14 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGCNS0029 | + | ID FL5FGCNS0029 |
| − | KNApSAcK_ID C00013515 | + | KNApSAcK_ID C00013515 |
| − | NAME 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one | + | NAME 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 244260-16-0 | + | CAS_RN 244260-16-0 |
| − | FORMULA C20H18O9 | + | FORMULA C20H18O9 |
| − | EXACTMASS 402.095082174 | + | EXACTMASS 402.095082174 |
| − | AVERAGEMASS 402.35152 | + | AVERAGEMASS 402.35152 |
| − | SMILES O(C1)c(c2)c(ccc2C(O4)=C(C(c(c43)c(OC)c(c(O)c3OC)OC)=O)OC)O1 | + | SMILES O(C1)c(c2)c(ccc2C(O4)=C(C(c(c43)c(OC)c(c(O)c3OC)OC)=O)OC)O1 |
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 32 0 0 0 0 0 0 0 0999 V2000
-1.0000 -0.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9953 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2931 -0.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4276 -0.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4348 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2785 0.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8606 0.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1492 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7022 0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4229 0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4302 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7221 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5716 0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5687 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8564 2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1473 1.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7221 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2931 -1.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1421 -0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1374 0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1447 -0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8546 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0098 -2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7022 1.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4144 2.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3691 0.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8592 1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3691 1.9094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8592 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
21 11 1 0 0 0 0
19 22 1 0 0 0 0
17 23 1 0 0 0 0
9 24 1 0 0 0 0
24 25 1 0 0 0 0
13 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 14 1 0 0 0 0
21 29 1 0 0 0 0
S SKP 8
ID FL5FGCNS0029
KNApSAcK_ID C00013515
NAME 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
CAS_RN 244260-16-0
FORMULA C20H18O9
EXACTMASS 402.095082174
AVERAGEMASS 402.35152
SMILES O(C1)c(c2)c(ccc2C(O4)=C(C(c(c43)c(OC)c(c(O)c3OC)OC)=O)OC)O1
M END
