Mol:FL1CBAGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 46 0 0 0 0 0 0 0 0999 V2000 | + | 43 46 0 0 0 0 0 0 0 0999 V2000 |
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| − | 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 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 0 0 0 |
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| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
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| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 29 23 1 0 0 0 0 | + | 29 23 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 5 31 1 0 0 0 0 | + | 5 31 1 0 0 0 0 |
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| − | 28 20 1 0 0 0 0 | + | 28 20 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 43 39 1 0 0 0 0 | + | 43 39 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CBAGS0004 | + | ID FL1CBAGS0004 |
| − | KNApSAcK_ID C00014506 | + | KNApSAcK_ID C00014506 |
| − | NAME Helichrysetin 4,4'-di-O-alpha-glucoside;4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-O-alpha-glucoside | + | NAME Helichrysetin 4,4'-di-O-alpha-glucoside;4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-O-alpha-glucoside |
| − | CAS_RN 203193-16-2 | + | CAS_RN 203193-16-2 |
| − | FORMULA C28H34O15 | + | FORMULA C28H34O15 |
| − | EXACTMASS 610.189770418 | + | EXACTMASS 610.189770418 |
| − | AVERAGEMASS 610.56056 | + | AVERAGEMASS 610.56056 |
| − | SMILES O(C(Oc(c2)cc(OC)c(C(=O)C=Cc(c3)ccc(OC(O4)C(O)C(C(O)C4CO)O)c3)c(O)2)1)C(CO)C(O)C(C1O)O | + | SMILES O(C(Oc(c2)cc(OC)c(C(=O)C=Cc(c3)ccc(OC(O4)C(O)C(C(O)C4CO)O)c3)c(O)2)1)C(CO)C(O)C(C1O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 46 0 0 0 0 0 0 0 0999 V2000
-1.2366 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2366 -1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 -2.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1924 -1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1924 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 -0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9069 -2.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6213 -1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6213 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3358 -0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0503 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7647 -0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7647 0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0503 0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3358 0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8213 0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2512 2.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7399 1.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5104 1.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3240 1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8353 2.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0648 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8443 2.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8240 1.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2654 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4103 1.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2561 2.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2 3 1 0 0 0 0
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5 6 2 0 0 0 0
6 1 1 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
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10 11 2 0 0 0 0
11 12 1 0 0 0 0
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14 15 2 0 0 0 0
15 10 1 0 0 0 0
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17 18 1 1 0 0 0
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20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
22 23 1 0 0 0 0
17 24 1 0 0 0 0
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3 27 1 0 0 0 0
1 28 1 0 0 0 0
29 23 1 0 0 0 0
13 30 1 0 0 0 0
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31 32 1 0 0 0 0
28 20 1 0 0 0 0
33 34 1 1 0 0 0
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36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
43 39 1 0 0 0 0
30 36 1 0 0 0 0
S SKP 8
ID FL1CBAGS0004
KNApSAcK_ID C00014506
NAME Helichrysetin 4,4'-di-O-alpha-glucoside;4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-O-alpha-glucoside
CAS_RN 203193-16-2
FORMULA C28H34O15
EXACTMASS 610.189770418
AVERAGEMASS 610.56056
SMILES O(C(Oc(c2)cc(OC)c(C(=O)C=Cc(c3)ccc(OC(O4)C(O)C(C(O)C4CO)O)c3)c(O)2)1)C(CO)C(O)C(C1O)O
M END
