Mol:FL2FA8GS0004
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 |
| − | -0.5553 -0.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5553 -0.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1573 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1573 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5521 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5521 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1646 -1.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1646 -1.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8773 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8773 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8736 -0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8736 -0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5936 -1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5936 -1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3062 -1.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3062 -1.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3025 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3025 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5863 0.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5863 0.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9563 0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9563 0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6724 -0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6724 -0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3852 0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3852 0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3821 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3821 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6660 1.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6660 1.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9531 1.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9531 1.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5946 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5946 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1808 0.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1808 0.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1646 -2.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1646 -2.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6724 -0.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6724 -0.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6660 2.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6660 2.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9020 0.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9020 0.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4894 -0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4894 -0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6911 -0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6911 -0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8976 -0.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8976 -0.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3102 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3102 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1086 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1086 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2655 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2655 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7454 0.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7454 0.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3852 -0.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3852 -0.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9381 -0.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9381 -0.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8626 -0.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8626 -0.8529 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8GS0004 | + | ID FL2FA8GS0004 |
| − | KNApSAcK_ID C00014332 | + | KNApSAcK_ID C00014332 |
| − | NAME 5,7,2',5'-Tetrahydroxyflavanone 7-glucoside;Coccinoside B | + | NAME 5,7,2',5'-Tetrahydroxyflavanone 7-glucoside;Coccinoside B |
| − | CAS_RN 146555-77-3 | + | CAS_RN 146555-77-3 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES c(O)(c1)ccc(c1C(C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)O | + | SMILES c(O)(c1)ccc(c1C(C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)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/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.5553 -0.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1573 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5521 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1646 -1.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8773 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8736 -0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5936 -1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3062 -1.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3025 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5863 0.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9563 0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6724 -0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3852 0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3821 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6660 1.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9531 1.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5946 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1808 0.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1646 -2.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6724 -0.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6660 2.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9020 0.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4894 -0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6911 -0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8976 -0.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3102 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1086 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2655 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7454 0.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3852 -0.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9381 -0.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8626 -0.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
12 20 1 0 0 0 0
15 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 8
ID FL2FA8GS0004
KNApSAcK_ID C00014332
NAME 5,7,2',5'-Tetrahydroxyflavanone 7-glucoside;Coccinoside B
CAS_RN 146555-77-3
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(O)(c1)ccc(c1C(C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)O
M END
