Mol:FL3F1GGS0002
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0218 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0218 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0218 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0218 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4293 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4293 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8804 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8804 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8804 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8804 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4293 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4293 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3314 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3314 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7825 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7825 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7825 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7825 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3314 0.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3314 0.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3314 -1.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3314 -1.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2334 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2334 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6931 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6931 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1528 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1528 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1528 0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1528 0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6931 0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6931 0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2334 0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2334 0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8870 0.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8870 0.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5413 0.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5413 0.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6931 1.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6931 1.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6125 -0.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6125 -0.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1732 -0.0455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1732 -0.0455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.6576 -0.7261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6576 -0.7261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9151 -0.4374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9151 -0.4374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1986 -0.4296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1986 -0.4296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7192 0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7192 0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3688 -0.2517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.3688 -0.2517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.8870 -0.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8870 -0.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4614 -0.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4614 -0.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4896 -1.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4896 -1.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5721 0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5721 0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5269 0.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5269 0.9467 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 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 34 -2.5721 0.6495 | + | M SVB 1 34 -2.5721 0.6495 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F1GGS0002 | + | ID FL3F1GGS0002 |
| − | KNApSAcK_ID C00004256 | + | KNApSAcK_ID C00004256 |
| − | NAME 7,3',4',5'-Tetrahydroxyflavone 7-glucoside;evolvuside B | + | NAME 7,3',4',5'-Tetrahydroxyflavone 7-glucoside;evolvuside B |
| − | CAS_RN 98411-70-2 | + | CAS_RN 98411-70-2 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)(c1)cc(O)c(O)c(O)1 | + | SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)(c1)cc(O)c(O)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.0218 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0218 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3314 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3314 0.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3314 -1.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2334 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1528 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1528 0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2334 0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8870 0.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5413 0.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 1.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6125 -0.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1732 -0.0455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6576 -0.7261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9151 -0.4374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1986 -0.4296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7192 0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3688 -0.2517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8870 -0.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4614 -0.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4896 -1.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5721 0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5269 0.9467 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
18 15 1 0 0 0 0
19 1 1 0 0 0 0
16 20 1 0 0 0 0
14 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SVB 1 34 -2.5721 0.6495
S SKP 8
ID FL3F1GGS0002
KNApSAcK_ID C00004256
NAME 7,3',4',5'-Tetrahydroxyflavone 7-glucoside;evolvuside B
CAS_RN 98411-70-2
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)(c1)cc(O)c(O)c(O)1
M END
