Mol:FL3FACCS0001
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 |
| − | -0.6475 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6475 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6475 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6475 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1470 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1470 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3534 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3534 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3534 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3534 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1470 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1470 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8539 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8539 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3543 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3543 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3543 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3543 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8539 0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8539 0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8544 0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8544 0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3848 0.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3848 0.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9151 0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9151 0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9151 1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9151 1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3848 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3848 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8544 1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8544 1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1470 -1.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1470 -1.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0734 0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0734 0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8539 -1.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8539 -1.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4450 1.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4450 1.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9575 -0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9575 -0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4521 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4521 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8311 -1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8311 -1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1164 -1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1164 -1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6218 -0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6218 -0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2428 -0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2428 -0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4146 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4146 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1019 -1.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1019 -1.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4450 -1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4450 -1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4450 0.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4450 0.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2949 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2949 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0917 -0.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0917 -0.2440 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 |
| − | 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 24 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 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 SBV 1 34 -7.5119 4.6369 | + | M SBV 1 34 -7.5119 4.6369 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACCS0001 | + | ID FL3FACCS0001 |
| − | KNApSAcK_ID C00001055 | + | KNApSAcK_ID C00001055 |
| − | NAME Isoorientin;Homoorientin;Lespecapitioside;Luteolin 6-C-beta-D-glucopyranoside;2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one | + | NAME Isoorientin;Homoorientin;Lespecapitioside;Luteolin 6-C-beta-D-glucopyranoside;2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 4261-42-1 | + | CAS_RN 4261-42-1 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(CO)C(O)C2O)O)cc(c(O)1)O | + | SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(CO)C(O)C2O)O)cc(c(O)1)O |
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
-0.6475 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6475 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1470 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3534 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3534 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1470 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8539 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3543 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3543 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8539 0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8544 0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3848 0.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9151 0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9151 1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3848 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8544 1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1470 -1.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0734 0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8539 -1.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4450 1.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9575 -0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4521 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8311 -1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1164 -1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6218 -0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2428 -0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4146 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1019 -1.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4450 -1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4450 0.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2949 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0917 -0.2440 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
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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
7 19 2 0 0 0 0
14 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
24 2 1 0 0 0 0
21 29 1 0 0 0 0
13 30 1 0 0 0 0
26 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 SBV 1 34 -7.5119 4.6369
S SKP 8
ID FL3FACCS0001
KNApSAcK_ID C00001055
NAME Isoorientin;Homoorientin;Lespecapitioside;Luteolin 6-C-beta-D-glucopyranoside;2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 4261-42-1
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(CO)C(O)C2O)O)cc(c(O)1)O
M END
