Mol:FL3FGCGS0013
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.7786 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7786 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0641 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0641 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0641 1.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0641 1.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7786 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7786 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4931 1.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4931 1.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4931 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4931 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6504 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6504 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3648 0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3648 0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0793 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0793 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0793 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0793 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3648 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3648 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6504 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6504 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7938 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7938 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5082 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5082 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5082 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5082 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7938 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7938 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3648 -1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3648 -1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2227 0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2227 0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7938 -1.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7938 -1.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1784 -1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1784 -1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7938 1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7938 1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1354 1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1354 1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8750 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8750 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8608 0.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8608 0.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3656 1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3656 1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1454 0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1454 0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7729 0.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7729 0.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4412 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4412 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7412 1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7412 1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5478 1.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5478 1.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1537 0.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1537 0.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8539 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8539 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0472 1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0472 1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8236 1.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8236 1.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3700 1.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3700 1.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8294 1.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8294 1.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8750 0.5653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8750 0.5653 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 29 22 1 0 0 0 0 | + | 29 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID | + | ID FL3FGCGS0013 |
| − | KNApSAcK_ID C00013995 | + | KNApSAcK_ID C00013995 |
| − | NAME 5,4'-Dihydroxy-6,7,8,3'-tetramethoxyflavone 4'-galactoside | + | NAME 5,4'-Dihydroxy-6,7,8,3'-tetramethoxyflavone 4'-galactoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C24H26O13 | + | FORMULA C24H26O13 |
| − | EXACTMASS 522.137340918 | + | EXACTMASS 522.137340918 |
| − | AVERAGEMASS 522.45544 | + | AVERAGEMASS 522.45544 |
| − | SMILES O(C)c(c1)c(OC(C4O)OC(O)C(C4O)O)ccc(C(=C3)Oc(c2C(=O)3)c(OC)c(c(c2O)OC)OC)1 | + | SMILES O(C)c(c1)c(OC(C4O)OC(O)C(C4O)O)ccc(C(=C3)Oc(c2C(=O)3)c(OC)c(c(c2O)OC)OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 13:02, 30 September 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
0.7786 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0641 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0641 1.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7786 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4931 1.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4931 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6504 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3648 0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0793 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0793 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3648 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6504 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7938 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5082 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5082 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7938 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3648 -1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2227 0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7938 -1.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1784 -1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7938 1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1354 1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8750 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8608 0.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3656 1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1454 0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7729 0.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4412 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7412 1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5478 1.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1537 0.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8539 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0472 1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8236 1.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3700 1.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8294 1.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8750 0.5653 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
15 20 1 0 0 0 0
13 21 1 0 0 0 0
5 22 1 0 0 0 0
20 23 1 0 0 0 0
18 24 1 0 0 0 0
21 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
29 22 1 0 0 0 0
S SKP 8
ID FL3FGCGS0013
KNApSAcK_ID C00013995
NAME 5,4'-Dihydroxy-6,7,8,3'-tetramethoxyflavone 4'-galactoside
CAS_RN -
FORMULA C24H26O13
EXACTMASS 522.137340918
AVERAGEMASS 522.45544
SMILES O(C)c(c1)c(OC(C4O)OC(O)C(C4O)O)ccc(C(=C3)Oc(c2C(=O)3)c(OC)c(c(c2O)OC)OC)1
M END
