Mol:FL2FAACS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -1.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -2.6061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -2.6061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 -0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 0.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 0.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1613 1.8640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.1613 1.8640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.7669 1.4052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7669 1.4052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5099 0.7446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5099 0.7446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5031 0.1071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5031 0.1071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.0397 0.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0397 0.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3448 1.1483 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.3448 1.1483 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.6713 2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6713 2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8017 2.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8017 2.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1454 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1454 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8179 1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8179 1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3609 2.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3609 2.0635 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 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 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 6 0 0 0 | + | 9 12 1 6 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 33 -0.8179 1.1741 | + | M SVB 1 33 -0.8179 1.1741 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAACS0002 | + | ID FL2FAACS0002 |
| − | KNApSAcK_ID C00006092 | + | KNApSAcK_ID C00006092 |
| − | NAME Isohemiphloin;(S)-8-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone;(2S)-8-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Isohemiphloin;(S)-8-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone;(2S)-8-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 3682-02-8 | + | CAS_RN 3682-02-8 |
| − | FORMULA C21H22O10 | + | FORMULA C21H22O10 |
| − | EXACTMASS 434.121296924 | + | EXACTMASS 434.121296924 |
| − | AVERAGEMASS 434.39338 | + | AVERAGEMASS 434.39338 |
| − | SMILES [C@H]([C@@H](O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C[C@H]2c(c3)ccc(O)c3)OC(CO)[C@H](O)[C@@H]1O | + | SMILES [C@H]([C@@H](O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C[C@H]2c(c3)ccc(O)c3)OC(CO)[C@H](O)[C@@H]1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.9630 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2941 -0.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -2.6061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 0.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1613 1.8640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7669 1.4052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5099 0.7446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5031 0.1071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0397 0.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3448 1.1483 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.6713 2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8017 2.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1454 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8179 1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3609 2.0635 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 1 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 6 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
15 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
6 23 1 0 0 0 0
3 29 1 0 0 0 0
25 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SVB 1 33 -0.8179 1.1741
S SKP 8
ID FL2FAACS0002
KNApSAcK_ID C00006092
NAME Isohemiphloin;(S)-8-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone;(2S)-8-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 3682-02-8
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES [C@H]([C@@H](O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C[C@H]2c(c3)ccc(O)c3)OC(CO)[C@H](O)[C@@H]1O
M END
